2-[[(2S)-2-amino-3-[1-[(2S)-5-oxopyrrolidine-2-carbonyl]imidazol-4-yl]propanoyl]amino]acetic acid

C13H17N5O5 — CID 57128714

IUPAC2-[[(2S)-2-amino-3-[1-[(2S)-5-oxopyrrolidine-2-carbonyl]imidazol-4-yl]propanoyl]amino]acetic acid
SMILESN[C@@H](Cc1cn(C(=O)[C@@H]2CCC(=O)N2)cn1)C(=O)NCC(=O)O
InChIInChI=1S/C13H17N5O5/c14-8(12(22)15-4-11(20)21)3-7-5-18(6-16-7)13(23)9-1-2-10(19)17-9/h5-6,8-9H,1-4,14H2,(H,15,22)(H,17,19)(H,20,21)/t8-,9-/m0/s1
InChIKeyRHKLTLANYLXVHP-IUCAKERBSA-N
MW323.31 g/mol
LogP-2.13
Rot. Bonds6

About 2-[[(2S)-2-amino-3-[1-[(2S)-5-oxopyrrolidine-2-carbonyl]imidazol-4-yl]propanoyl]amino]acetic acid

2-[[(2S)-2-amino-3-[1-[(2S)-5-oxopyrrolidine-2-carbonyl]imidazol-4-yl]propanoyl]amino]acetic acid (PubChem CID 57128714) has the molecular formula C13H17N5O5 and a molecular weight of 323.31 g/mol. Its IUPAC name is 2-[[(2S)-2-amino-3-[1-[(2S)-5-oxopyrrolidine-2-carbonyl]imidazol-4-yl]propanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(2S)-2-amino-3-[1-[(2S)-5-oxopyrrolidine-2-carbonyl]imidazol-4-yl]propanoyl]amino]acetic acid
PubChem CID57128714
Molecular FormulaC13H17N5O5
Molecular Weight323.31 g/mol
Exact Mass323.12
IUPAC Name2-[[(2S)-2-amino-3-[1-[(2S)-5-oxopyrrolidine-2-carbonyl]imidazol-4-yl]propanoyl]amino]acetic acid
SMILESN[C@@H](Cc1cn(C(=O)[C@@H]2CCC(=O)N2)cn1)C(=O)NCC(=O)O
InChIInChI=1S/C13H17N5O5/c14-8(12(22)15-4-11(20)21)3-7-5-18(6-16-7)13(23)9-1-2-10(19)17-9/h5-6,8-9H,1-4,14H2,(H,15,22)(H,17,19)(H,20,21)/t8-,9-/m0/s1
InChIKeyRHKLTLANYLXVHP-IUCAKERBSA-N
XLogP-2.13
TPSA156.41 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 5-2.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 2-[[(2S)-2-amino-3-[1-[(2S)-5-oxopyrrolidine-2-carbonyl]imidazol-4-yl]propanoyl]amino]acetic acid with MolForge

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Related Compounds

(2S)-2-amino-N-[(2S)-1-(1H-indol-3-yl)-3-oxopropan-2-yl]-3-[1-[(2S)-5-oxopyrrolidine-2-carbonyl]imidazol-4-yl]propanamide
CID 57001394
CID 22961718
CID 22961718
N-[1-[2-amino-3-(1-methylimidazol-4-yl)propanoyl]pyrrolidine-2-carbonyl]-5-oxopyrrolidine-2-carboxamide
CID 53462756
(2S)-2-amino-3-[1-[(2S)-2,6-diaminohexanoyl]imidazol-4-yl]propanoic acid
CID 57301212
(2S)-2-amino-N-(cyclohexylmethyl)-3-(1-tritylimidazol-4-yl)propanamide
CID 50942333
S-[(2S)-2-amino-3-[1-(2-aminopropanoyl)imidazol-4-yl]propanoyl]sulfanyl (2S)-2-amino-3-[1-(2-aminopropanoyl)imidazol-4-yl]propanethioate;(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid
CID 87745028
1-methoxyethyl 4-[(2S)-3-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-oxo-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]propyl]imidazole-1-carboxylate
CID 101137541
2-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]acetic acid
CID 115290299
3-amino-4-oxo-4-[(5-oxopyrrolidin-2-yl)methylamino]butanoic acid
CID 64895784
(2R)-2-amino-3-(1-methylimidazol-4-yl)propanoic acid
CID 6993114
2-[[(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]propanoyl]amino]acetate
CID 7031910
(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-(2-cyclohexylethyl)propanamide;dihydrochloride
CID 119725748

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-amino-3-[1-[(2S)-5-oxopyrrolidine-2-carbonyl]imidazol-4-yl]propanoyl]amino]acetic acid?
The IUPAC name of 2-[[(2S)-2-amino-3-[1-[(2S)-5-oxopyrrolidine-2-carbonyl]imidazol-4-yl]propanoyl]amino]acetic acid (CID 57128714) is 2-[[(2S)-2-amino-3-[1-[(2S)-5-oxopyrrolidine-2-carbonyl]imidazol-4-yl]propanoyl]amino]acetic acid.
What is the SMILES notation for 2-[[(2S)-2-amino-3-[1-[(2S)-5-oxopyrrolidine-2-carbonyl]imidazol-4-yl]propanoyl]amino]acetic acid?
The canonical SMILES for 2-[[(2S)-2-amino-3-[1-[(2S)-5-oxopyrrolidine-2-carbonyl]imidazol-4-yl]propanoyl]amino]acetic acid is N[C@@H](Cc1cn(C(=O)[C@@H]2CCC(=O)N2)cn1)C(=O)NCC(=O)O.
What is the InChIKey of 2-[[(2S)-2-amino-3-[1-[(2S)-5-oxopyrrolidine-2-carbonyl]imidazol-4-yl]propanoyl]amino]acetic acid?
The InChIKey is RHKLTLANYLXVHP-IUCAKERBSA-N. The full InChI is InChI=1S/C13H17N5O5/c14-8(12(22)15-4-11(20)21)3-7-5-18(6-16-7)13(23)9-1-2-10(19)17-9/h5-6,8-9H,1-4,14H2,(H,15,22)(H,17,19)(H,20,21)/t8-,9-/m0/s1.
What are the key properties of 2-[[(2S)-2-amino-3-[1-[(2S)-5-oxopyrrolidine-2-carbonyl]imidazol-4-yl]propanoyl]amino]acetic acid?
2-[[(2S)-2-amino-3-[1-[(2S)-5-oxopyrrolidine-2-carbonyl]imidazol-4-yl]propanoyl]amino]acetic acid has a molecular weight of 323.31 g/mol, XLogP of -2.13, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-amino-3-[1-[(2S)-5-oxopyrrolidine-2-carbonyl]imidazol-4-yl]propanoyl]amino]acetic acid is sourced from PubChem (CID 57128714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).