(2S,4S)-N-(2-amino-2-oxoethyl)-1-(furan-2-carbonyl)-N-methyl-4-(propan-2-ylcarbamoylamino)pyrrolidine-2-carboxamide

C17H25N5O5 — CID 7049477

IUPAC(2S,4S)-N-(2-amino-2-oxoethyl)-1-(furan-2-carbonyl)-N-methyl-4-(propan-2-ylcarbamoylamino)pyrrolidine-2-carboxamide
SMILESCC(C)NC(=O)N[C@H]1C[C@@H](C(=O)N(C)CC(N)=O)N(C(=O)c2ccco2)C1
InChIInChI=1S/C17H25N5O5/c1-10(2)19-17(26)20-11-7-12(15(24)21(3)9-14(18)23)22(8-11)16(25)13-5-4-6-27-13/h4-6,10-12H,7-9H2,1-3H3,(H2,18,23)(H2,19,20,26)/t11-,12-/m0/s1
InChIKeyMXMNTQFHALXRJG-RYUDHWBXSA-N
MW379.42 g/mol
LogP-0.49
Rot. Bonds6

About (2S,4S)-N-(2-amino-2-oxoethyl)-1-(furan-2-carbonyl)-N-methyl-4-(propan-2-ylcarbamoylamino)pyrrolidine-2-carboxamide

(2S,4S)-N-(2-amino-2-oxoethyl)-1-(furan-2-carbonyl)-N-methyl-4-(propan-2-ylcarbamoylamino)pyrrolidine-2-carboxamide (PubChem CID 7049477) has the molecular formula C17H25N5O5 and a molecular weight of 379.42 g/mol. Its IUPAC name is (2S,4S)-N-(2-amino-2-oxoethyl)-1-(furan-2-carbonyl)-N-methyl-4-(propan-2-ylcarbamoylamino)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-(2-amino-2-oxoethyl)-1-(furan-2-carbonyl)-N-methyl-4-(propan-2-ylcarbamoylamino)pyrrolidine-2-carboxamide
PubChem CID7049477
Molecular FormulaC17H25N5O5
Molecular Weight379.42 g/mol
Exact Mass379.19
IUPAC Name(2S,4S)-N-(2-amino-2-oxoethyl)-1-(furan-2-carbonyl)-N-methyl-4-(propan-2-ylcarbamoylamino)pyrrolidine-2-carboxamide
SMILESCC(C)NC(=O)N[C@H]1C[C@@H](C(=O)N(C)CC(N)=O)N(C(=O)c2ccco2)C1
InChIInChI=1S/C17H25N5O5/c1-10(2)19-17(26)20-11-7-12(15(24)21(3)9-14(18)23)22(8-11)16(25)13-5-4-6-27-13/h4-6,10-12H,7-9H2,1-3H3,(H2,18,23)(H2,19,20,26)/t11-,12-/m0/s1
InChIKeyMXMNTQFHALXRJG-RYUDHWBXSA-N
XLogP-0.49
TPSA137.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,4S)-N-(2-amino-2-oxoethyl)-4-(cyclohexylcarbamoylamino)-N-methyl-1-(pyrazine-2-carbonyl)pyrrolidine-2-carboxamide
CID 162860064
(2S,4S)-N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-1-(furan-2-carbonyl)-4-(prop-2-enylcarbamoylamino)pyrrolidine-2-carboxamide
CID 7049497
N-(2-amino-2-oxoethyl)-4-(cyclohexylcarbamoylamino)-1-(3,3-dimethylbutanoyl)-N-methylpyrrolidine-2-carboxamide
CID 3751797
3-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]-methylamino]propanoic acid
CID 119232964
(2S)-N-[(2S)-2-cyanopropyl]-1-(furan-2-carbonyl)-N-methylpiperidine-2-carboxamide
CID 94815039
1-(furan-2-carbonyl)-N-methyl-N-propan-2-ylpiperidine-2-carboxamide
CID 87045075
N-(3-amino-4-methylpentyl)-2-(furan-2-carbonyl)-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 119660086
N-[(5-bromothiophen-2-yl)methyl]-1-(furan-2-carbonyl)-N-methylpyrrolidine-2-carboxamide
CID 55369644
(2S,4S)-N-[(2S)-1-amino-5-(furan-2-carbonylamino)-1-oxopentan-2-yl]-4-[(2,4-difluorophenyl)carbamoylamino]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 7127983
5-amino-4-[[1-(1-methylpyrrole-2-carbonyl)-4-(propan-2-ylcarbamoylamino)pyrrolidine-2-carbonyl]amino]-5-oxopentanoic acid
CID 3791772
methyl (2S,4S)-1-(furan-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylate
CID 1480349
furan-2-yl-(2-methylaziridin-1-yl)methanone
CID 71425455

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-(2-amino-2-oxoethyl)-1-(furan-2-carbonyl)-N-methyl-4-(propan-2-ylcarbamoylamino)pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-N-(2-amino-2-oxoethyl)-1-(furan-2-carbonyl)-N-methyl-4-(propan-2-ylcarbamoylamino)pyrrolidine-2-carboxamide (CID 7049477) is (2S,4S)-N-(2-amino-2-oxoethyl)-1-(furan-2-carbonyl)-N-methyl-4-(propan-2-ylcarbamoylamino)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-N-(2-amino-2-oxoethyl)-1-(furan-2-carbonyl)-N-methyl-4-(propan-2-ylcarbamoylamino)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-N-(2-amino-2-oxoethyl)-1-(furan-2-carbonyl)-N-methyl-4-(propan-2-ylcarbamoylamino)pyrrolidine-2-carboxamide is CC(C)NC(=O)N[C@H]1C[C@@H](C(=O)N(C)CC(N)=O)N(C(=O)c2ccco2)C1.
What is the InChIKey of (2S,4S)-N-(2-amino-2-oxoethyl)-1-(furan-2-carbonyl)-N-methyl-4-(propan-2-ylcarbamoylamino)pyrrolidine-2-carboxamide?
The InChIKey is MXMNTQFHALXRJG-RYUDHWBXSA-N. The full InChI is InChI=1S/C17H25N5O5/c1-10(2)19-17(26)20-11-7-12(15(24)21(3)9-14(18)23)22(8-11)16(25)13-5-4-6-27-13/h4-6,10-12H,7-9H2,1-3H3,(H2,18,23)(H2,19,20,26)/t11-,12-/m0/s1.
What are the key properties of (2S,4S)-N-(2-amino-2-oxoethyl)-1-(furan-2-carbonyl)-N-methyl-4-(propan-2-ylcarbamoylamino)pyrrolidine-2-carboxamide?
(2S,4S)-N-(2-amino-2-oxoethyl)-1-(furan-2-carbonyl)-N-methyl-4-(propan-2-ylcarbamoylamino)pyrrolidine-2-carboxamide has a molecular weight of 379.42 g/mol, XLogP of -0.49, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-(2-amino-2-oxoethyl)-1-(furan-2-carbonyl)-N-methyl-4-(propan-2-ylcarbamoylamino)pyrrolidine-2-carboxamide is sourced from PubChem (CID 7049477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).