(2S)-2-amino-N-(2,5-dioxoimidazolidin-4-yl)-3-phenylpropanamide

C12H14N4O3 — CID 66914825

IUPAC(2S)-2-amino-N-(2,5-dioxoimidazolidin-4-yl)-3-phenylpropanamide
SMILESN[C@@H](Cc1ccccc1)C(=O)NC1NC(=O)NC1=O
InChIInChI=1S/C12H14N4O3/c13-8(6-7-4-2-1-3-5-7)10(17)14-9-11(18)16-12(19)15-9/h1-5,8-9H,6,13H2,(H,14,17)(H2,15,16,18,19)/t8-,9?/m0/s1
InChIKeyKVDYVPCVOHBLKV-IENPIDJESA-N
MW262.27 g/mol
LogP-1.16
Rot. Bonds4

About (2S)-2-amino-N-(2,5-dioxoimidazolidin-4-yl)-3-phenylpropanamide

(2S)-2-amino-N-(2,5-dioxoimidazolidin-4-yl)-3-phenylpropanamide (PubChem CID 66914825) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is (2S)-2-amino-N-(2,5-dioxoimidazolidin-4-yl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2,5-dioxoimidazolidin-4-yl)-3-phenylpropanamide
PubChem CID66914825
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name(2S)-2-amino-N-(2,5-dioxoimidazolidin-4-yl)-3-phenylpropanamide
SMILESN[C@@H](Cc1ccccc1)C(=O)NC1NC(=O)NC1=O
InChIInChI=1S/C12H14N4O3/c13-8(6-7-4-2-1-3-5-7)10(17)14-9-11(18)16-12(19)15-9/h1-5,8-9H,6,13H2,(H,14,17)(H2,15,16,18,19)/t8-,9?/m0/s1
InChIKeyKVDYVPCVOHBLKV-IENPIDJESA-N
XLogP-1.16
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 5-1.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-(2-oxopiperidin-3-yl)-3-phenylpropanamide
CID 78986436
cis-(1R,3S)-3-[[(2S)-2-amino-3-phenylpropanoyl]amino]cyclopentane-1-carboxylic acid
CID 106322850
2-amino-N-(2-oxoazepan-3-yl)-3-phenylpropanamide
CID 43704102
(2S)-2-amino-N-(2-oxoazepan-3-yl)-3-phenylpropanamide
CID 61180000
(2S)-2-amino-3-phenyl-N-(2,2,3,3-tetramethylcyclopropyl)propanamide;hydrochloride
CID 119343823
2-amino-N-(4-ethylcyclohexyl)-3-phenylpropanamide
CID 61470376
(2S)-2-amino-N-[(2S)-2-amino-3-phenylpropanoyl]-3-phenylpropanamide
CID 21116073
(2S)-2-amino-N-(4-methylcyclohexyl)-3-phenylpropanamide
CID 14837100
2-amino-N-(5-oxopyrrolidin-3-yl)-3-phenylpropanamide
CID 106187812
(2S)-2-amino-3-phenyl-N-(4-phenylcyclohexyl)propanamide
CID 119285391
(2R)-2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-3-phenylpropanamide
CID 107221661
2-amino-N-(oxan-3-yl)-3-phenylpropanamide
CID 63361697

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2,5-dioxoimidazolidin-4-yl)-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-(2,5-dioxoimidazolidin-4-yl)-3-phenylpropanamide (CID 66914825) is (2S)-2-amino-N-(2,5-dioxoimidazolidin-4-yl)-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-(2,5-dioxoimidazolidin-4-yl)-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-(2,5-dioxoimidazolidin-4-yl)-3-phenylpropanamide is N[C@@H](Cc1ccccc1)C(=O)NC1NC(=O)NC1=O.
What is the InChIKey of (2S)-2-amino-N-(2,5-dioxoimidazolidin-4-yl)-3-phenylpropanamide?
The InChIKey is KVDYVPCVOHBLKV-IENPIDJESA-N. The full InChI is InChI=1S/C12H14N4O3/c13-8(6-7-4-2-1-3-5-7)10(17)14-9-11(18)16-12(19)15-9/h1-5,8-9H,6,13H2,(H,14,17)(H2,15,16,18,19)/t8-,9?/m0/s1.
What are the key properties of (2S)-2-amino-N-(2,5-dioxoimidazolidin-4-yl)-3-phenylpropanamide?
(2S)-2-amino-N-(2,5-dioxoimidazolidin-4-yl)-3-phenylpropanamide has a molecular weight of 262.27 g/mol, XLogP of -1.16, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2,5-dioxoimidazolidin-4-yl)-3-phenylpropanamide is sourced from PubChem (CID 66914825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).