1-[[(2R)-2-aminopropanoyl]amino]-3-(2-phenylethyl)urea

C12H18N4O2 — CID 69141088

IUPAC1-[[(2R)-2-aminopropanoyl]amino]-3-(2-phenylethyl)urea
SMILESC[C@@H](N)C(=O)NNC(=O)NCCc1ccccc1
InChIInChI=1S/C12H18N4O2/c1-9(13)11(17)15-16-12(18)14-8-7-10-5-3-2-4-6-10/h2-6,9H,7-8,13H2,1H3,(H,15,17)(H2,14,16,18)/t9-/m1/s1
InChIKeyUSLHRQHGYJFVMO-SECBINFHSA-N
MW250.30 g/mol
LogP-0.09
Rot. Bonds4

About 1-[[(2R)-2-aminopropanoyl]amino]-3-(2-phenylethyl)urea

1-[[(2R)-2-aminopropanoyl]amino]-3-(2-phenylethyl)urea (PubChem CID 69141088) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-[[(2R)-2-aminopropanoyl]amino]-3-(2-phenylethyl)urea.

Molecular Properties

Compound Name1-[[(2R)-2-aminopropanoyl]amino]-3-(2-phenylethyl)urea
PubChem CID69141088
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name1-[[(2R)-2-aminopropanoyl]amino]-3-(2-phenylethyl)urea
SMILESC[C@@H](N)C(=O)NNC(=O)NCCc1ccccc1
InChIInChI=1S/C12H18N4O2/c1-9(13)11(17)15-16-12(18)14-8-7-10-5-3-2-4-6-10/h2-6,9H,7-8,13H2,1H3,(H,15,17)(H2,14,16,18)/t9-/m1/s1
InChIKeyUSLHRQHGYJFVMO-SECBINFHSA-N
XLogP-0.09
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 5-0.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-[2-oxo-2-(2-phenylethylamino)ethyl]propanamide;hydrochloride
CID 119309731
(2R)-2-amino-N-(3-phenylpropyl)propanamide;hydrochloride
CID 70408513
2-methyl-N-(2-phenylethyl)propanamide;dihydrochloride
CID 174557988
(2S)-2-amino-3-phenyl-N-(2-phenylethyl)propanamide;hydrochloride
CID 21308260
(2S)-2-amino-3-methyl-N-(2-phenylethyl)pentanamide;hydrochloride
CID 67640844
(2S)-2-[[[(2S)-2-aminopropanoyl]amino]carbamoylamino]-3-phenylpropanamide
CID 58917827
(2R)-2-amino-N-(4-phenylbutan-2-yl)propanamide
CID 14620809
(2R)-2-amino-N-[2-(2-hydroxyphenyl)ethyl]propanamide
CID 120872754
(2S)-2-amino-3,3-dimethyl-N-(2-phenylethyl)butanamide;hydrochloride
CID 119670070
(2R)-2-amino-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 78973575
(2R)-2-amino-N-[2-(4-methylphenyl)ethyl]propanamide;hydrochloride
CID 119326879
(2S)-2-bromo-N-(2-phenylethyl)butanamide
CID 51659927

Frequently Asked Questions

What is the IUPAC name of 1-[[(2R)-2-aminopropanoyl]amino]-3-(2-phenylethyl)urea?
The IUPAC name of 1-[[(2R)-2-aminopropanoyl]amino]-3-(2-phenylethyl)urea (CID 69141088) is 1-[[(2R)-2-aminopropanoyl]amino]-3-(2-phenylethyl)urea.
What is the SMILES notation for 1-[[(2R)-2-aminopropanoyl]amino]-3-(2-phenylethyl)urea?
The canonical SMILES for 1-[[(2R)-2-aminopropanoyl]amino]-3-(2-phenylethyl)urea is C[C@@H](N)C(=O)NNC(=O)NCCc1ccccc1.
What is the InChIKey of 1-[[(2R)-2-aminopropanoyl]amino]-3-(2-phenylethyl)urea?
The InChIKey is USLHRQHGYJFVMO-SECBINFHSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-9(13)11(17)15-16-12(18)14-8-7-10-5-3-2-4-6-10/h2-6,9H,7-8,13H2,1H3,(H,15,17)(H2,14,16,18)/t9-/m1/s1.
What are the key properties of 1-[[(2R)-2-aminopropanoyl]amino]-3-(2-phenylethyl)urea?
1-[[(2R)-2-aminopropanoyl]amino]-3-(2-phenylethyl)urea has a molecular weight of 250.30 g/mol, XLogP of -0.09, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2R)-2-aminopropanoyl]amino]-3-(2-phenylethyl)urea is sourced from PubChem (CID 69141088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).