(2S)-5-amino-2-[(1-ethylpyrrole-2-carbonyl)amino]-5-oxopentanoic acid

C12H17N3O4 — CID 61143350

IUPAC(2S)-5-amino-2-[(1-ethylpyrrole-2-carbonyl)amino]-5-oxopentanoic acid
SMILESCCn1cccc1C(=O)N[C@@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C12H17N3O4/c1-2-15-7-3-4-9(15)11(17)14-8(12(18)19)5-6-10(13)16/h3-4,7-8H,2,5-6H2,1H3,(H2,13,16)(H,14,17)(H,18,19)/t8-/m0/s1
InChIKeyBLZQTYHGEDYMRO-QMMMGPOBSA-N
MW267.28 g/mol
LogP-0.04
Rot. Bonds7

About (2S)-5-amino-2-[(1-ethylpyrrole-2-carbonyl)amino]-5-oxopentanoic acid

(2S)-5-amino-2-[(1-ethylpyrrole-2-carbonyl)amino]-5-oxopentanoic acid (PubChem CID 61143350) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is (2S)-5-amino-2-[(1-ethylpyrrole-2-carbonyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-5-amino-2-[(1-ethylpyrrole-2-carbonyl)amino]-5-oxopentanoic acid
PubChem CID61143350
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name(2S)-5-amino-2-[(1-ethylpyrrole-2-carbonyl)amino]-5-oxopentanoic acid
SMILESCCn1cccc1C(=O)N[C@@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C12H17N3O4/c1-2-15-7-3-4-9(15)11(17)14-8(12(18)19)5-6-10(13)16/h3-4,7-8H,2,5-6H2,1H3,(H2,13,16)(H,14,17)(H,18,19)/t8-/m0/s1
InChIKeyBLZQTYHGEDYMRO-QMMMGPOBSA-N
XLogP-0.04
TPSA114.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-5-amino-2-[(1-ethylpyrrole-2-carbonyl)amino]-5-oxopentanoic acid with MolForge

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Related Compounds

2-[[1-(2,2,2-trifluoroethyl)pyrrole-2-carbonyl]amino]pentanoic acid
CID 114608686
methyl 2-[(1-ethylpyrrole-2-carbonyl)amino]-3-hydroxypropanoate
CID 43638993
4-amino-4-oxo-2-[[1-(2,2,2-trifluoroethyl)pyrrole-2-carbonyl]amino]butanoic acid
CID 114608621
(2R)-4-methylsulfanyl-2-[(1-propylpyrrole-2-carbonyl)amino]butanoic acid
CID 104906339
(2S,3R)-2-[(1-ethylpyrrole-2-carbonyl)amino]-3-hydroxybutanoic acid
CID 104964424
3-[(1-ethylpyrrole-2-carbonyl)amino]-2-methylpropanoic acid
CID 62676590
(2R)-2-[[1-(2,2-difluoroethyl)pyrrole-2-carbonyl]amino]butanoic acid
CID 104939949
(2S)-5-amino-2-[(1-methylpyrrole-3-carbonyl)amino]-5-oxopentanoic acid
CID 110834835
5-[(1-ethylpyrrole-2-carbonyl)amino]-2-methylpentanoic acid
CID 104681684
5-amino-2-[(3-bromobenzoyl)amino]-5-oxopentanoic acid
CID 24693335
(2S)-2-[[1-(2,2-difluoroethyl)pyrrole-2-carbonyl]amino]-4-methylsulfanylbutanoic acid
CID 104939894
(2R)-5-amino-2-[(2,3-dihydroxybenzoyl)amino]-5-oxopentanoic acid
CID 107829776

Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-2-[(1-ethylpyrrole-2-carbonyl)amino]-5-oxopentanoic acid?
The IUPAC name of (2S)-5-amino-2-[(1-ethylpyrrole-2-carbonyl)amino]-5-oxopentanoic acid (CID 61143350) is (2S)-5-amino-2-[(1-ethylpyrrole-2-carbonyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for (2S)-5-amino-2-[(1-ethylpyrrole-2-carbonyl)amino]-5-oxopentanoic acid?
The canonical SMILES for (2S)-5-amino-2-[(1-ethylpyrrole-2-carbonyl)amino]-5-oxopentanoic acid is CCn1cccc1C(=O)N[C@@H](CCC(N)=O)C(=O)O.
What is the InChIKey of (2S)-5-amino-2-[(1-ethylpyrrole-2-carbonyl)amino]-5-oxopentanoic acid?
The InChIKey is BLZQTYHGEDYMRO-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-2-15-7-3-4-9(15)11(17)14-8(12(18)19)5-6-10(13)16/h3-4,7-8H,2,5-6H2,1H3,(H2,13,16)(H,14,17)(H,18,19)/t8-/m0/s1.
What are the key properties of (2S)-5-amino-2-[(1-ethylpyrrole-2-carbonyl)amino]-5-oxopentanoic acid?
(2S)-5-amino-2-[(1-ethylpyrrole-2-carbonyl)amino]-5-oxopentanoic acid has a molecular weight of 267.28 g/mol, XLogP of -0.04, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-2-[(1-ethylpyrrole-2-carbonyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 61143350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).