2-amino-3-hydroxy-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]propanamide

C11H14N4O3 — CID 115179889

IUPAC2-amino-3-hydroxy-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]propanamide
SMILESNC(CO)C(=O)NCc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C11H14N4O3/c12-7(5-16)10(17)13-4-6-1-2-8-9(3-6)15-11(18)14-8/h1-3,7,16H,4-5,12H2,(H,13,17)(H2,14,15,18)
InChIKeyZYCKKAJWXSTSJW-UHFFFAOYSA-N
MW250.26 g/mol
LogP-1.21
Rot. Bonds4

About 2-amino-3-hydroxy-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]propanamide

2-amino-3-hydroxy-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]propanamide (PubChem CID 115179889) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is 2-amino-3-hydroxy-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]propanamide.

Molecular Properties

Compound Name2-amino-3-hydroxy-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]propanamide
PubChem CID115179889
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Name2-amino-3-hydroxy-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]propanamide
SMILESNC(CO)C(=O)NCc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C11H14N4O3/c12-7(5-16)10(17)13-4-6-1-2-8-9(3-6)15-11(18)14-8/h1-3,7,16H,4-5,12H2,(H,13,17)(H2,14,15,18)
InChIKeyZYCKKAJWXSTSJW-UHFFFAOYSA-N
XLogP-1.21
TPSA124.00 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 5-1.21
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanehydrazide
CID 116848655
1-benzyl-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea
CID 110775421
2-amino-3-hydroxy-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)propanamide
CID 115179814
4-oxo-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methylamino]butanoic acid
CID 82501247
N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-2-phenylacetamide
CID 110785246
2-methyl-2-(methylamino)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]propanamide
CID 115165741
5-[(aminomethylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 115225769
5-(1-amino-2-hydroxyethyl)-1,3-dihydrobenzimidazol-2-one
CID 83530993
(2R)-2-amino-N-[[4-(4-aminophenyl)phenyl]methyl]-3-hydroxypropanamide
CID 142480000
(2R)-2-amino-N-[(3-bromophenyl)methyl]-3-hydroxypropanamide;hydrochloride
CID 142480144
2-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methylamino]ethyl]sulfanylacetic acid
CID 120550099
N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]pyridine-4-carboxamide;hydrochloride
CID 110785256

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-hydroxy-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]propanamide?
The IUPAC name of 2-amino-3-hydroxy-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]propanamide (CID 115179889) is 2-amino-3-hydroxy-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]propanamide.
What is the SMILES notation for 2-amino-3-hydroxy-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]propanamide?
The canonical SMILES for 2-amino-3-hydroxy-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]propanamide is NC(CO)C(=O)NCc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 2-amino-3-hydroxy-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]propanamide?
The InChIKey is ZYCKKAJWXSTSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c12-7(5-16)10(17)13-4-6-1-2-8-9(3-6)15-11(18)14-8/h1-3,7,16H,4-5,12H2,(H,13,17)(H2,14,15,18).
What are the key properties of 2-amino-3-hydroxy-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]propanamide?
2-amino-3-hydroxy-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]propanamide has a molecular weight of 250.26 g/mol, XLogP of -1.21, 4 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-hydroxy-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]propanamide is sourced from PubChem (CID 115179889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).