(2R)-5-amino-2-[[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]-5-oxopentanoic acid

C13H24N4O4 — CID 107830862

IUPAC(2R)-5-amino-2-[[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]-5-oxopentanoic acid
SMILESCN(CCN1CCCC1)C(=O)N[C@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C13H24N4O4/c1-16(8-9-17-6-2-3-7-17)13(21)15-10(12(19)20)4-5-11(14)18/h10H,2-9H2,1H3,(H2,14,18)(H,15,21)(H,19,20)/t10-/m1/s1
InChIKeyBPRVUDNWTDMPNP-SNVBAGLBSA-N
MW300.36 g/mol
LogP-0.56
Rot. Bonds8

About (2R)-5-amino-2-[[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]-5-oxopentanoic acid

(2R)-5-amino-2-[[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]-5-oxopentanoic acid (PubChem CID 107830862) has the molecular formula C13H24N4O4 and a molecular weight of 300.36 g/mol. Its IUPAC name is (2R)-5-amino-2-[[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-5-amino-2-[[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]-5-oxopentanoic acid
PubChem CID107830862
Molecular FormulaC13H24N4O4
Molecular Weight300.36 g/mol
Exact Mass300.18
IUPAC Name(2R)-5-amino-2-[[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]-5-oxopentanoic acid
SMILESCN(CCN1CCCC1)C(=O)N[C@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C13H24N4O4/c1-16(8-9-17-6-2-3-7-17)13(21)15-10(12(19)20)4-5-11(14)18/h10H,2-9H2,1H3,(H2,14,18)(H,15,21)(H,19,20)/t10-/m1/s1
InChIKeyBPRVUDNWTDMPNP-SNVBAGLBSA-N
XLogP-0.56
TPSA115.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-5-amino-2-[[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]-5-oxopentanoic acid with MolForge

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Related Compounds

5-amino-2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]-5-oxopentanoic acid
CID 63699583
2-[[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]propanoic acid
CID 63209066
(2S)-5-amino-2-[[methyl(pentyl)carbamoyl]amino]-5-oxopentanoic acid
CID 61197974
5-amino-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]amino]-5-oxopentanoic acid
CID 79311374
5-amino-2-[[2-ethoxyethyl(methyl)carbamoyl]amino]-5-oxopentanoic acid
CID 81057472
(2R)-5-amino-2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]amino]-5-oxopentanoic acid
CID 107830868
(2S)-5-amino-2-[[cyclohexylmethyl(methyl)carbamoyl]amino]-5-oxopentanoic acid
CID 61443524
(2R)-5-amino-2-[[methyl(2-methylprop-2-enyl)carbamoyl]amino]-5-oxopentanoic acid
CID 107831129
(2S)-5-amino-2-[[cyclopentyl(methyl)carbamoyl]amino]-5-oxopentanoic acid
CID 61195271
5-amino-2-[[cycloheptyl(methyl)carbamoyl]amino]-5-oxopentanoic acid
CID 61201089
(2R)-5-amino-2-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]-5-oxopentanoic acid
CID 107831208
(2R)-4-amino-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]-4-oxobutanoic acid
CID 107826694

Frequently Asked Questions

What is the IUPAC name of (2R)-5-amino-2-[[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]-5-oxopentanoic acid?
The IUPAC name of (2R)-5-amino-2-[[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]-5-oxopentanoic acid (CID 107830862) is (2R)-5-amino-2-[[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for (2R)-5-amino-2-[[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]-5-oxopentanoic acid?
The canonical SMILES for (2R)-5-amino-2-[[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]-5-oxopentanoic acid is CN(CCN1CCCC1)C(=O)N[C@H](CCC(N)=O)C(=O)O.
What is the InChIKey of (2R)-5-amino-2-[[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]-5-oxopentanoic acid?
The InChIKey is BPRVUDNWTDMPNP-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H24N4O4/c1-16(8-9-17-6-2-3-7-17)13(21)15-10(12(19)20)4-5-11(14)18/h10H,2-9H2,1H3,(H2,14,18)(H,15,21)(H,19,20)/t10-/m1/s1.
What are the key properties of (2R)-5-amino-2-[[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]-5-oxopentanoic acid?
(2R)-5-amino-2-[[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]-5-oxopentanoic acid has a molecular weight of 300.36 g/mol, XLogP of -0.56, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-amino-2-[[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 107830862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).