(2R)-4-hydroxy-2-[(3-oxo-1,4-diazepane-1-carbonyl)amino]butanoic acid

C10H17N3O5 — CID 107828142

IUPAC(2R)-4-hydroxy-2-[(3-oxo-1,4-diazepane-1-carbonyl)amino]butanoic acid
SMILESO=C1CN(C(=O)N[C@H](CCO)C(=O)O)CCCN1
InChIInChI=1S/C10H17N3O5/c14-5-2-7(9(16)17)12-10(18)13-4-1-3-11-8(15)6-13/h7,14H,1-6H2,(H,11,15)(H,12,18)(H,16,17)/t7-/m1/s1
InChIKeyBCAFURBDRGAJSZ-SSDOTTSWSA-N
MW259.26 g/mol
LogP-1.65
Rot. Bonds4

About (2R)-4-hydroxy-2-[(3-oxo-1,4-diazepane-1-carbonyl)amino]butanoic acid

(2R)-4-hydroxy-2-[(3-oxo-1,4-diazepane-1-carbonyl)amino]butanoic acid (PubChem CID 107828142) has the molecular formula C10H17N3O5 and a molecular weight of 259.26 g/mol. Its IUPAC name is (2R)-4-hydroxy-2-[(3-oxo-1,4-diazepane-1-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name(2R)-4-hydroxy-2-[(3-oxo-1,4-diazepane-1-carbonyl)amino]butanoic acid
PubChem CID107828142
Molecular FormulaC10H17N3O5
Molecular Weight259.26 g/mol
Exact Mass259.12
IUPAC Name(2R)-4-hydroxy-2-[(3-oxo-1,4-diazepane-1-carbonyl)amino]butanoic acid
SMILESO=C1CN(C(=O)N[C@H](CCO)C(=O)O)CCCN1
InChIInChI=1S/C10H17N3O5/c14-5-2-7(9(16)17)12-10(18)13-4-1-3-11-8(15)6-13/h7,14H,1-6H2,(H,11,15)(H,12,18)(H,16,17)/t7-/m1/s1
InChIKeyBCAFURBDRGAJSZ-SSDOTTSWSA-N
XLogP-1.65
TPSA118.97 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 5-1.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2R)-4-hydroxy-2-[(3-oxo-1,4-diazepane-1-carbonyl)amino]butanoic acid with MolForge

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Related Compounds

(2S)-4-hydroxy-2-[(3-oxopiperazine-1-carbonyl)amino]butanoic acid
CID 107825580
(2R)-5-methoxy-5-oxo-2-[(3-oxo-1,4-diazepane-1-carbonyl)amino]pentanoic acid
CID 107828143
(2S)-4-methyl-2-[(3-oxo-1,4-diazepane-1-carbonyl)amino]pentanoic acid
CID 65363653
5-amino-5-oxo-2-[(3-oxopiperazine-1-carbonyl)amino]pentanoic acid
CID 61181984
(2S)-2-[(3-oxo-1,4-diazepane-1-carbonyl)amino]-2-phenylacetic acid
CID 104899074
2-[(3-oxopiperazine-1-carbonyl)amino]propanoic acid
CID 61181300
(2S)-4-hydroxy-2-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]butanoic acid
CID 106316101
4-hydroxy-2-[(3-hydroxypiperidine-1-carbonyl)amino]butanoic acid
CID 61439608
(2S)-2-[(5-oxo-1,4-diazepane-1-carbonyl)amino]hexanoic acid
CID 107146054
(2R)-4-hydroxy-2-[(4-methylazepane-1-carbonyl)amino]butanoic acid
CID 114005640
(2R)-4-hydroxy-2-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]butanoic acid
CID 107826333
2-[(5-oxo-1,4-diazepane-1-carbonyl)amino]pentanoic acid
CID 63004650

Frequently Asked Questions

What is the IUPAC name of (2R)-4-hydroxy-2-[(3-oxo-1,4-diazepane-1-carbonyl)amino]butanoic acid?
The IUPAC name of (2R)-4-hydroxy-2-[(3-oxo-1,4-diazepane-1-carbonyl)amino]butanoic acid (CID 107828142) is (2R)-4-hydroxy-2-[(3-oxo-1,4-diazepane-1-carbonyl)amino]butanoic acid.
What is the SMILES notation for (2R)-4-hydroxy-2-[(3-oxo-1,4-diazepane-1-carbonyl)amino]butanoic acid?
The canonical SMILES for (2R)-4-hydroxy-2-[(3-oxo-1,4-diazepane-1-carbonyl)amino]butanoic acid is O=C1CN(C(=O)N[C@H](CCO)C(=O)O)CCCN1.
What is the InChIKey of (2R)-4-hydroxy-2-[(3-oxo-1,4-diazepane-1-carbonyl)amino]butanoic acid?
The InChIKey is BCAFURBDRGAJSZ-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H17N3O5/c14-5-2-7(9(16)17)12-10(18)13-4-1-3-11-8(15)6-13/h7,14H,1-6H2,(H,11,15)(H,12,18)(H,16,17)/t7-/m1/s1.
What are the key properties of (2R)-4-hydroxy-2-[(3-oxo-1,4-diazepane-1-carbonyl)amino]butanoic acid?
(2R)-4-hydroxy-2-[(3-oxo-1,4-diazepane-1-carbonyl)amino]butanoic acid has a molecular weight of 259.26 g/mol, XLogP of -1.65, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-hydroxy-2-[(3-oxo-1,4-diazepane-1-carbonyl)amino]butanoic acid is sourced from PubChem (CID 107828142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).