(2R)-2-(1,4-oxazepane-4-carbonylamino)pentanoic acid

C11H20N2O4 — CID 107566897

IUPAC(2R)-2-(1,4-oxazepane-4-carbonylamino)pentanoic acid
SMILESCCC[C@@H](NC(=O)N1CCCOCC1)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-2-4-9(10(14)15)12-11(16)13-5-3-7-17-8-6-13/h9H,2-8H2,1H3,(H,12,16)(H,14,15)/t9-/m1/s1
InChIKeyYWXCJCVPYALKEL-SECBINFHSA-N
MW244.29 g/mol
LogP0.67
Rot. Bonds4

About (2R)-2-(1,4-oxazepane-4-carbonylamino)pentanoic acid

(2R)-2-(1,4-oxazepane-4-carbonylamino)pentanoic acid (PubChem CID 107566897) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is (2R)-2-(1,4-oxazepane-4-carbonylamino)pentanoic acid.

Molecular Properties

Compound Name(2R)-2-(1,4-oxazepane-4-carbonylamino)pentanoic acid
PubChem CID107566897
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name(2R)-2-(1,4-oxazepane-4-carbonylamino)pentanoic acid
SMILESCCC[C@@H](NC(=O)N1CCCOCC1)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-2-4-9(10(14)15)12-11(16)13-5-3-7-17-8-6-13/h9H,2-8H2,1H3,(H,12,16)(H,14,15)/t9-/m1/s1
InChIKeyYWXCJCVPYALKEL-SECBINFHSA-N
XLogP0.67
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,4-oxazepane-4-carbonylamino)pentanoic acid
CID 62968340
2-(1,4-oxazepane-4-carbonylamino)hexanoic acid
CID 62967980
4-methyl-2-(1,4-oxazepane-4-carbonylamino)pentanoic acid
CID 62969212
2-(morpholine-4-carbonylamino)butanoic acid
CID 61187325
(2S)-2-[(4-acetyl-1,4-diazepane-1-carbonyl)amino]pentanoic acid
CID 107566616
(2R)-4-amino-2-(1,4-oxazepane-4-carbonylamino)-4-oxobutanoic acid
CID 107827630
4,4-difluoro-2-(1,4-oxazepane-4-carbonylamino)pentanoic acid
CID 76558764
(2S)-2-[(4-methylpiperazine-1-carbonyl)amino]pentanoic acid
CID 107565857
(2S)-2-[(4-methylazepane-1-carbonyl)amino]pentanoic acid
CID 107566997
(2R)-2-[(4-hydroxy-4-methylazepane-1-carbonyl)amino]pentanoic acid
CID 107567866
(2R)-2-[(4-propan-2-ylpiperazine-1-carbonyl)amino]pentanoic acid
CID 107566252
3-methoxy-2-(morpholine-4-carbonylamino)propanoic acid
CID 81077004

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1,4-oxazepane-4-carbonylamino)pentanoic acid?
The IUPAC name of (2R)-2-(1,4-oxazepane-4-carbonylamino)pentanoic acid (CID 107566897) is (2R)-2-(1,4-oxazepane-4-carbonylamino)pentanoic acid.
What is the SMILES notation for (2R)-2-(1,4-oxazepane-4-carbonylamino)pentanoic acid?
The canonical SMILES for (2R)-2-(1,4-oxazepane-4-carbonylamino)pentanoic acid is CCC[C@@H](NC(=O)N1CCCOCC1)C(=O)O.
What is the InChIKey of (2R)-2-(1,4-oxazepane-4-carbonylamino)pentanoic acid?
The InChIKey is YWXCJCVPYALKEL-SECBINFHSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-2-4-9(10(14)15)12-11(16)13-5-3-7-17-8-6-13/h9H,2-8H2,1H3,(H,12,16)(H,14,15)/t9-/m1/s1.
What are the key properties of (2R)-2-(1,4-oxazepane-4-carbonylamino)pentanoic acid?
(2R)-2-(1,4-oxazepane-4-carbonylamino)pentanoic acid has a molecular weight of 244.29 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1,4-oxazepane-4-carbonylamino)pentanoic acid is sourced from PubChem (CID 107566897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).