(2S,3R,4S)-1-(2-acetamidoacetyl)-3,4-dihydroxy-N-pentan-2-ylpyrrolidine-2-carboxamide

C14H25N3O5 — CID 11347593

IUPAC(2S,3R,4S)-1-(2-acetamidoacetyl)-3,4-dihydroxy-N-pentan-2-ylpyrrolidine-2-carboxamide
SMILESCCCC(C)NC(=O)[C@@H]1[C@@H](O)[C@@H](O)CN1C(=O)CNC(C)=O
InChIInChI=1S/C14H25N3O5/c1-4-5-8(2)16-14(22)12-13(21)10(19)7-17(12)11(20)6-15-9(3)18/h8,10,12-13,19,21H,4-7H2,1-3H3,(H,15,18)(H,16,22)/t8?,10-,12-,13-/m0/s1
InChIKeyBZHNGBTZGTXWMS-RNUNJCBPSA-N
MW315.37 g/mol
LogP-1.64
Rot. Bonds6

About (2S,3R,4S)-1-(2-acetamidoacetyl)-3,4-dihydroxy-N-pentan-2-ylpyrrolidine-2-carboxamide

(2S,3R,4S)-1-(2-acetamidoacetyl)-3,4-dihydroxy-N-pentan-2-ylpyrrolidine-2-carboxamide (PubChem CID 11347593) has the molecular formula C14H25N3O5 and a molecular weight of 315.37 g/mol. Its IUPAC name is (2S,3R,4S)-1-(2-acetamidoacetyl)-3,4-dihydroxy-N-pentan-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,3R,4S)-1-(2-acetamidoacetyl)-3,4-dihydroxy-N-pentan-2-ylpyrrolidine-2-carboxamide
PubChem CID11347593
Molecular FormulaC14H25N3O5
Molecular Weight315.37 g/mol
Exact Mass315.18
IUPAC Name(2S,3R,4S)-1-(2-acetamidoacetyl)-3,4-dihydroxy-N-pentan-2-ylpyrrolidine-2-carboxamide
SMILESCCCC(C)NC(=O)[C@@H]1[C@@H](O)[C@@H](O)CN1C(=O)CNC(C)=O
InChIInChI=1S/C14H25N3O5/c1-4-5-8(2)16-14(22)12-13(21)10(19)7-17(12)11(20)6-15-9(3)18/h8,10,12-13,19,21H,4-7H2,1-3H3,(H,15,18)(H,16,22)/t8?,10-,12-,13-/m0/s1
InChIKeyBZHNGBTZGTXWMS-RNUNJCBPSA-N
XLogP-1.64
TPSA118.97 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 5-1.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-pentan-2-ylcyclopropanecarboxamide
CID 43889322
(3aR,4S,6aS)-5-butanoyl-2,2-dimethyl-N-pentan-2-yl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-4-carboxamide
CID 11450227
(2S,3R,4S)-1-benzoyl-N-butyl-3,4-dihydroxypyrrolidine-2-carboxamide
CID 11266759
N-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]acetamide
CID 62917262
N-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]acetamide
CID 66291157
N-pentan-2-ylcyclohexanecarboxamide
CID 19916603
N-ethyl-2-[[2-oxo-2-(pentan-2-ylamino)ethyl]amino]acetamide
CID 60695403
2-(2,2-dimethylbutylamino)-N-pentan-2-ylacetamide
CID 103461265
(2S,3S,4S)-1-(furan-3-carbonyl)-3,4-dihydroxy-N-propan-2-ylpyrrolidine-2-carboxamide
CID 5276347
2-(pentan-2-ylamino)-N-propan-2-ylacetamide
CID 43179512
4-methyl-N-pentan-2-ylpyrrolidine-3-carboxamide
CID 63720958
N-[2-(azetidin-1-yl)-2-oxoethyl]acetamide
CID 121325487

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S)-1-(2-acetamidoacetyl)-3,4-dihydroxy-N-pentan-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,3R,4S)-1-(2-acetamidoacetyl)-3,4-dihydroxy-N-pentan-2-ylpyrrolidine-2-carboxamide (CID 11347593) is (2S,3R,4S)-1-(2-acetamidoacetyl)-3,4-dihydroxy-N-pentan-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,3R,4S)-1-(2-acetamidoacetyl)-3,4-dihydroxy-N-pentan-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,3R,4S)-1-(2-acetamidoacetyl)-3,4-dihydroxy-N-pentan-2-ylpyrrolidine-2-carboxamide is CCCC(C)NC(=O)[C@@H]1[C@@H](O)[C@@H](O)CN1C(=O)CNC(C)=O.
What is the InChIKey of (2S,3R,4S)-1-(2-acetamidoacetyl)-3,4-dihydroxy-N-pentan-2-ylpyrrolidine-2-carboxamide?
The InChIKey is BZHNGBTZGTXWMS-RNUNJCBPSA-N. The full InChI is InChI=1S/C14H25N3O5/c1-4-5-8(2)16-14(22)12-13(21)10(19)7-17(12)11(20)6-15-9(3)18/h8,10,12-13,19,21H,4-7H2,1-3H3,(H,15,18)(H,16,22)/t8?,10-,12-,13-/m0/s1.
What are the key properties of (2S,3R,4S)-1-(2-acetamidoacetyl)-3,4-dihydroxy-N-pentan-2-ylpyrrolidine-2-carboxamide?
(2S,3R,4S)-1-(2-acetamidoacetyl)-3,4-dihydroxy-N-pentan-2-ylpyrrolidine-2-carboxamide has a molecular weight of 315.37 g/mol, XLogP of -1.64, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S)-1-(2-acetamidoacetyl)-3,4-dihydroxy-N-pentan-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 11347593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).