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

C12H19N3O6 — CID 61199399

IUPAC(2S)-5-amino-2-[(2-methoxycarbonylpyrrolidine-1-carbonyl)amino]-5-oxopentanoic acid
SMILESCOC(=O)C1CCCN1C(=O)N[C@@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C12H19N3O6/c1-21-11(19)8-3-2-6-15(8)12(20)14-7(10(17)18)4-5-9(13)16/h7-8H,2-6H2,1H3,(H2,13,16)(H,14,20)(H,17,18)/t7-,8?/m0/s1
InChIKeyBFVURLCAZFNKKT-JAMMHHFISA-N
MW301.30 g/mol
LogP-0.95
Rot. Bonds6

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

(2S)-5-amino-2-[(2-methoxycarbonylpyrrolidine-1-carbonyl)amino]-5-oxopentanoic acid (PubChem CID 61199399) has the molecular formula C12H19N3O6 and a molecular weight of 301.30 g/mol. Its IUPAC name is (2S)-5-amino-2-[(2-methoxycarbonylpyrrolidine-1-carbonyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-5-amino-2-[(2-methoxycarbonylpyrrolidine-1-carbonyl)amino]-5-oxopentanoic acid
PubChem CID61199399
Molecular FormulaC12H19N3O6
Molecular Weight301.30 g/mol
Exact Mass301.13
IUPAC Name(2S)-5-amino-2-[(2-methoxycarbonylpyrrolidine-1-carbonyl)amino]-5-oxopentanoic acid
SMILESCOC(=O)C1CCCN1C(=O)N[C@@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C12H19N3O6/c1-21-11(19)8-3-2-6-15(8)12(20)14-7(10(17)18)4-5-9(13)16/h7-8H,2-6H2,1H3,(H2,13,16)(H,14,20)(H,17,18)/t7-,8?/m0/s1
InChIKeyBFVURLCAZFNKKT-JAMMHHFISA-N
XLogP-0.95
TPSA139.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 5-0.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Related Compounds

(2R)-5-amino-2-[(2-carbamoylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 107830729
(2S)-5-amino-2-[(3-methoxypiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 102962992
2-[(2-methoxycarbonylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 61199397
(2R)-4-amino-2-[(2-carbamoylpyrrolidine-1-carbonyl)amino]-4-oxobutanoic acid
CID 114005368
4-amino-2-[(2-carbamoylpyrrolidine-1-carbonyl)amino]-4-oxobutanoic acid
CID 61200187
(2S)-5-amino-2-[(2-ethylazepane-1-carbonyl)amino]-5-oxopentanoic acid
CID 104690935
(2S)-2-[(2-carbamoylpiperidine-1-carbonyl)amino]pentanoic acid
CID 107566579
5-amino-2-[(4-methoxypiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 61197274
(2S)-5-amino-2-[(4-methoxypiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 61197661
(2S)-2-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonylamino)-5-amino-5-oxopentanoic acid
CID 82753203
(2S)-5-methoxy-2-[(2-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 107825515
(2S)-5-amino-2-[(3-carbamoylmorpholine-4-carbonyl)amino]-5-oxopentanoic acid
CID 83098558

Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-2-[(2-methoxycarbonylpyrrolidine-1-carbonyl)amino]-5-oxopentanoic acid?
The IUPAC name of (2S)-5-amino-2-[(2-methoxycarbonylpyrrolidine-1-carbonyl)amino]-5-oxopentanoic acid (CID 61199399) is (2S)-5-amino-2-[(2-methoxycarbonylpyrrolidine-1-carbonyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for (2S)-5-amino-2-[(2-methoxycarbonylpyrrolidine-1-carbonyl)amino]-5-oxopentanoic acid?
The canonical SMILES for (2S)-5-amino-2-[(2-methoxycarbonylpyrrolidine-1-carbonyl)amino]-5-oxopentanoic acid is COC(=O)C1CCCN1C(=O)N[C@@H](CCC(N)=O)C(=O)O.
What is the InChIKey of (2S)-5-amino-2-[(2-methoxycarbonylpyrrolidine-1-carbonyl)amino]-5-oxopentanoic acid?
The InChIKey is BFVURLCAZFNKKT-JAMMHHFISA-N. The full InChI is InChI=1S/C12H19N3O6/c1-21-11(19)8-3-2-6-15(8)12(20)14-7(10(17)18)4-5-9(13)16/h7-8H,2-6H2,1H3,(H2,13,16)(H,14,20)(H,17,18)/t7-,8?/m0/s1.
What are the key properties of (2S)-5-amino-2-[(2-methoxycarbonylpyrrolidine-1-carbonyl)amino]-5-oxopentanoic acid?
(2S)-5-amino-2-[(2-methoxycarbonylpyrrolidine-1-carbonyl)amino]-5-oxopentanoic acid has a molecular weight of 301.30 g/mol, XLogP of -0.95, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-2-[(2-methoxycarbonylpyrrolidine-1-carbonyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 61199399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).