2-hydroxy-4-(morpholine-2-carbonylamino)butanoic acid

C9H16N2O5 — CID 107836026

IUPAC2-hydroxy-4-(morpholine-2-carbonylamino)butanoic acid
SMILESO=C(O)C(O)CCNC(=O)C1CNCCO1
InChIInChI=1S/C9H16N2O5/c12-6(9(14)15)1-2-11-8(13)7-5-10-3-4-16-7/h6-7,10,12H,1-5H2,(H,11,13)(H,14,15)
InChIKeyNJMSKVFYMKRKPD-UHFFFAOYSA-N
MW232.24 g/mol
LogP-2.07
Rot. Bonds5

About 2-hydroxy-4-(morpholine-2-carbonylamino)butanoic acid

2-hydroxy-4-(morpholine-2-carbonylamino)butanoic acid (PubChem CID 107836026) has the molecular formula C9H16N2O5 and a molecular weight of 232.24 g/mol. Its IUPAC name is 2-hydroxy-4-(morpholine-2-carbonylamino)butanoic acid.

Molecular Properties

Compound Name2-hydroxy-4-(morpholine-2-carbonylamino)butanoic acid
PubChem CID107836026
Molecular FormulaC9H16N2O5
Molecular Weight232.24 g/mol
Exact Mass232.11
IUPAC Name2-hydroxy-4-(morpholine-2-carbonylamino)butanoic acid
SMILESO=C(O)C(O)CCNC(=O)C1CNCCO1
InChIInChI=1S/C9H16N2O5/c12-6(9(14)15)1-2-11-8(13)7-5-10-3-4-16-7/h6-7,10,12H,1-5H2,(H,11,13)(H,14,15)
InChIKeyNJMSKVFYMKRKPD-UHFFFAOYSA-N
XLogP-2.07
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 5-2.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(cyclopropanecarbonylamino)ethyl]morpholine-2-carboxamide;hydrochloride
CID 119687765
2-[2-(morpholine-2-carbonylamino)ethoxy]acetic acid
CID 79457958
N-octylmorpholine-2-carboxamide
CID 115567943
2-(morpholine-2-carbonylamino)ethyl carbamate
CID 83210560
N-[2-[methyl(propan-2-yl)amino]ethyl]morpholine-2-carboxamide
CID 62641152
(2R)-N-(azetidin-3-ylmethyl)morpholine-2-carboxamide;hydrochloride
CID 130702713
(2R)-2-(morpholine-2-carbonylamino)pentanoic acid
CID 103869931
N-(3-cyclopentylpropyl)morpholine-2-carboxamide
CID 113266264
N-(3-methylsulfanylpropyl)morpholine-2-carboxamide;hydrochloride
CID 119706942
N-(2-benzamidoethyl)morpholine-2-carboxamide;hydrochloride
CID 119702761
(2R)-N-(2-aminopropyl)morpholine-2-carboxamide;hydrochloride
CID 130680040
N-[2-(cyclopropylmethoxy)ethyl]morpholine-2-carboxamide
CID 103809948

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-(morpholine-2-carbonylamino)butanoic acid?
The IUPAC name of 2-hydroxy-4-(morpholine-2-carbonylamino)butanoic acid (CID 107836026) is 2-hydroxy-4-(morpholine-2-carbonylamino)butanoic acid.
What is the SMILES notation for 2-hydroxy-4-(morpholine-2-carbonylamino)butanoic acid?
The canonical SMILES for 2-hydroxy-4-(morpholine-2-carbonylamino)butanoic acid is O=C(O)C(O)CCNC(=O)C1CNCCO1.
What is the InChIKey of 2-hydroxy-4-(morpholine-2-carbonylamino)butanoic acid?
The InChIKey is NJMSKVFYMKRKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O5/c12-6(9(14)15)1-2-11-8(13)7-5-10-3-4-16-7/h6-7,10,12H,1-5H2,(H,11,13)(H,14,15).
What are the key properties of 2-hydroxy-4-(morpholine-2-carbonylamino)butanoic acid?
2-hydroxy-4-(morpholine-2-carbonylamino)butanoic acid has a molecular weight of 232.24 g/mol, XLogP of -2.07, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-(morpholine-2-carbonylamino)butanoic acid is sourced from PubChem (CID 107836026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).