2-[4-hydroxy-N-(1,4-oxazepane-4-carbonyl)anilino]acetic acid

C14H18N2O5 — CID 62969219

IUPAC2-[4-hydroxy-N-(1,4-oxazepane-4-carbonyl)anilino]acetic acid
SMILESO=C(O)CN(C(=O)N1CCCOCC1)c1ccc(O)cc1
InChIInChI=1S/C14H18N2O5/c17-12-4-2-11(3-5-12)16(10-13(18)19)14(20)15-6-1-8-21-9-7-15/h2-5,17H,1,6-10H2,(H,18,19)
InChIKeyRURVJTVTJVKAMY-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.13
Rot. Bonds3

About 2-[4-hydroxy-N-(1,4-oxazepane-4-carbonyl)anilino]acetic acid

2-[4-hydroxy-N-(1,4-oxazepane-4-carbonyl)anilino]acetic acid (PubChem CID 62969219) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-[4-hydroxy-N-(1,4-oxazepane-4-carbonyl)anilino]acetic acid.

Molecular Properties

Compound Name2-[4-hydroxy-N-(1,4-oxazepane-4-carbonyl)anilino]acetic acid
PubChem CID62969219
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name2-[4-hydroxy-N-(1,4-oxazepane-4-carbonyl)anilino]acetic acid
SMILESO=C(O)CN(C(=O)N1CCCOCC1)c1ccc(O)cc1
InChIInChI=1S/C14H18N2O5/c17-12-4-2-11(3-5-12)16(10-13(18)19)14(20)15-6-1-8-21-9-7-15/h2-5,17H,1,6-10H2,(H,18,19)
InChIKeyRURVJTVTJVKAMY-UHFFFAOYSA-N
XLogP1.13
TPSA90.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-(3-aminopiperidine-1-carbonyl)-4-hydroxyanilino)acetic acid
CID 61403610
2-(N-(2,2-dimethylpyrrolidine-1-carbonyl)-4-hydroxyanilino)acetic acid
CID 63219240
2-(N-carboxy-4-hydroxyanilino)acetic acid
CID 66615587
2-[1,4-oxazepane-4-carbonyl(propyl)amino]acetic acid
CID 62967639
2-(4-chloro-N-(3-methylpiperidine-1-carbonyl)anilino)acetic acid
CID 61186885
N-(2-cyanoethyl)-N-phenylmorpholine-4-carboxamide
CID 79155764
(2,5-dihydroxyphenyl)-(1,4-oxazepan-4-yl)methanone
CID 107722952
2-(4-methyl-N-(2-morpholin-4-yl-2-oxoethyl)anilino)acetic acid
CID 46299967
2-[4-(3-butan-2-yl-4-hydroxyphenoxy)-3,5-dichloro-N-(morpholine-4-carbonyl)anilino]acetic acid
CID 68753437
2-[methyl(1,4-oxazepane-4-carbonyl)amino]benzoic acid
CID 62968689
2-(4-hydroxy-N-(3-hydroxybenzoyl)anilino)acetic acid
CID 60830444
2-(N-(3-methoxypiperidine-1-carbonyl)anilino)acetic acid
CID 102962941

Frequently Asked Questions

What is the IUPAC name of 2-[4-hydroxy-N-(1,4-oxazepane-4-carbonyl)anilino]acetic acid?
The IUPAC name of 2-[4-hydroxy-N-(1,4-oxazepane-4-carbonyl)anilino]acetic acid (CID 62969219) is 2-[4-hydroxy-N-(1,4-oxazepane-4-carbonyl)anilino]acetic acid.
What is the SMILES notation for 2-[4-hydroxy-N-(1,4-oxazepane-4-carbonyl)anilino]acetic acid?
The canonical SMILES for 2-[4-hydroxy-N-(1,4-oxazepane-4-carbonyl)anilino]acetic acid is O=C(O)CN(C(=O)N1CCCOCC1)c1ccc(O)cc1.
What is the InChIKey of 2-[4-hydroxy-N-(1,4-oxazepane-4-carbonyl)anilino]acetic acid?
The InChIKey is RURVJTVTJVKAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c17-12-4-2-11(3-5-12)16(10-13(18)19)14(20)15-6-1-8-21-9-7-15/h2-5,17H,1,6-10H2,(H,18,19).
What are the key properties of 2-[4-hydroxy-N-(1,4-oxazepane-4-carbonyl)anilino]acetic acid?
2-[4-hydroxy-N-(1,4-oxazepane-4-carbonyl)anilino]acetic acid has a molecular weight of 294.31 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-hydroxy-N-(1,4-oxazepane-4-carbonyl)anilino]acetic acid is sourced from PubChem (CID 62969219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).