(2R)-5-methoxy-5-oxo-2-[(3-oxo-1,4-diazepane-1-carbonyl)amino]pentanoic acid

C12H19N3O6 — CID 107828143

IUPAC(2R)-5-methoxy-5-oxo-2-[(3-oxo-1,4-diazepane-1-carbonyl)amino]pentanoic acid
SMILESCOC(=O)CC[C@@H](NC(=O)N1CCCNC(=O)C1)C(=O)O
InChIInChI=1S/C12H19N3O6/c1-21-10(17)4-3-8(11(18)19)14-12(20)15-6-2-5-13-9(16)7-15/h8H,2-7H2,1H3,(H,13,16)(H,14,20)(H,18,19)/t8-/m1/s1
InChIKeyLESVTSMITQLIFC-MRVPVSSYSA-N
MW301.30 g/mol
LogP-1.08
Rot. Bonds5

About (2R)-5-methoxy-5-oxo-2-[(3-oxo-1,4-diazepane-1-carbonyl)amino]pentanoic acid

(2R)-5-methoxy-5-oxo-2-[(3-oxo-1,4-diazepane-1-carbonyl)amino]pentanoic acid (PubChem CID 107828143) has the molecular formula C12H19N3O6 and a molecular weight of 301.30 g/mol. Its IUPAC name is (2R)-5-methoxy-5-oxo-2-[(3-oxo-1,4-diazepane-1-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-5-methoxy-5-oxo-2-[(3-oxo-1,4-diazepane-1-carbonyl)amino]pentanoic acid
PubChem CID107828143
Molecular FormulaC12H19N3O6
Molecular Weight301.30 g/mol
Exact Mass301.13
IUPAC Name(2R)-5-methoxy-5-oxo-2-[(3-oxo-1,4-diazepane-1-carbonyl)amino]pentanoic acid
SMILESCOC(=O)CC[C@@H](NC(=O)N1CCCNC(=O)C1)C(=O)O
InChIInChI=1S/C12H19N3O6/c1-21-10(17)4-3-8(11(18)19)14-12(20)15-6-2-5-13-9(16)7-15/h8H,2-7H2,1H3,(H,13,16)(H,14,20)(H,18,19)/t8-/m1/s1
InChIKeyLESVTSMITQLIFC-MRVPVSSYSA-N
XLogP-1.08
TPSA125.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 5-1.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2R)-5-methoxy-5-oxo-2-[(3-oxo-1,4-diazepane-1-carbonyl)amino]pentanoic acid with MolForge

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Related Compounds

(2R)-4-hydroxy-2-[(3-oxo-1,4-diazepane-1-carbonyl)amino]butanoic acid
CID 107828142
(2S)-4-methyl-2-[(3-oxo-1,4-diazepane-1-carbonyl)amino]pentanoic acid
CID 65363653
(2S)-2-(azocane-1-carbonylamino)-5-methoxy-5-oxopentanoic acid
CID 107825972
5-amino-5-oxo-2-[(3-oxopiperazine-1-carbonyl)amino]pentanoic acid
CID 61181984
(2S)-4-hydroxy-2-[(3-oxopiperazine-1-carbonyl)amino]butanoic acid
CID 107825580
(2S)-5-methoxy-2-[(4-methylpiperazine-1-carbonyl)amino]-5-oxopentanoic acid
CID 107825523
(2S)-5-methoxy-2-[(3-methylpyrrolidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 107826487
5-methoxy-2-[(4-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 82787410
(2R)-5-methoxy-2-[(2-methyl-1,4-oxazepane-4-carbonyl)amino]-5-oxopentanoic acid
CID 107827626
(2R)-2-[(3,3-dimethylpyrrolidine-1-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107828378
(2S)-2-[(3-oxo-1,4-diazepane-1-carbonyl)amino]-2-phenylacetic acid
CID 104899074
(2R)-5-methoxy-2-[(3-methoxypyrrolidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 107829496

Frequently Asked Questions

What is the IUPAC name of (2R)-5-methoxy-5-oxo-2-[(3-oxo-1,4-diazepane-1-carbonyl)amino]pentanoic acid?
The IUPAC name of (2R)-5-methoxy-5-oxo-2-[(3-oxo-1,4-diazepane-1-carbonyl)amino]pentanoic acid (CID 107828143) is (2R)-5-methoxy-5-oxo-2-[(3-oxo-1,4-diazepane-1-carbonyl)amino]pentanoic acid.
What is the SMILES notation for (2R)-5-methoxy-5-oxo-2-[(3-oxo-1,4-diazepane-1-carbonyl)amino]pentanoic acid?
The canonical SMILES for (2R)-5-methoxy-5-oxo-2-[(3-oxo-1,4-diazepane-1-carbonyl)amino]pentanoic acid is COC(=O)CC[C@@H](NC(=O)N1CCCNC(=O)C1)C(=O)O.
What is the InChIKey of (2R)-5-methoxy-5-oxo-2-[(3-oxo-1,4-diazepane-1-carbonyl)amino]pentanoic acid?
The InChIKey is LESVTSMITQLIFC-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H19N3O6/c1-21-10(17)4-3-8(11(18)19)14-12(20)15-6-2-5-13-9(16)7-15/h8H,2-7H2,1H3,(H,13,16)(H,14,20)(H,18,19)/t8-/m1/s1.
What are the key properties of (2R)-5-methoxy-5-oxo-2-[(3-oxo-1,4-diazepane-1-carbonyl)amino]pentanoic acid?
(2R)-5-methoxy-5-oxo-2-[(3-oxo-1,4-diazepane-1-carbonyl)amino]pentanoic acid has a molecular weight of 301.30 g/mol, XLogP of -1.08, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-methoxy-5-oxo-2-[(3-oxo-1,4-diazepane-1-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 107828143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).