(2S)-2-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-phenylpropanamide

C14H20N2O2 — CID 81433068

IUPAC(2S)-2-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-phenylpropanamide
SMILESN[C@@H](Cc1ccccc1)C(=O)NCC1(CO)CC1
InChIInChI=1S/C14H20N2O2/c15-12(8-11-4-2-1-3-5-11)13(18)16-9-14(10-17)6-7-14/h1-5,12,17H,6-10,15H2,(H,16,18)/t12-/m0/s1
InChIKeySAMBKWZWPDMAAK-LBPRGKRZSA-N
MW248.33 g/mol
LogP0.45
Rot. Bonds6

About (2S)-2-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-phenylpropanamide

(2S)-2-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-phenylpropanamide (PubChem CID 81433068) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (2S)-2-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-phenylpropanamide
PubChem CID81433068
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(2S)-2-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-phenylpropanamide
SMILESN[C@@H](Cc1ccccc1)C(=O)NCC1(CO)CC1
InChIInChI=1S/C14H20N2O2/c15-12(8-11-4-2-1-3-5-11)13(18)16-9-14(10-17)6-7-14/h1-5,12,17H,6-10,15H2,(H,16,18)/t12-/m0/s1
InChIKeySAMBKWZWPDMAAK-LBPRGKRZSA-N
XLogP0.45
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-phenylpropanamide
CID 81433594
2-[1-[[(2-amino-3-phenylpropanoyl)amino]methyl]cyclohexyl]acetic acid
CID 11507997
2-[1-[[[(2S)-2-amino-3-phenylpropanoyl]amino]methyl]cyclobutyl]acetic acid
CID 81164897
(2S)-2-amino-N-[(1-hydroxycyclohexyl)methyl]-3-phenylpropanamide
CID 79004655
(2S)-2-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-phenylpropanamide
CID 81494200
(2S)-2-amino-N-[(1-methylcyclobutyl)methyl]-3-phenylpropanamide
CID 103797671
(2R)-2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-3-phenylpropanamide
CID 81130811
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-phenyl-2-sulfanylpropanamide
CID 107034274
(2S)-2-amino-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-3-phenylpropanamide
CID 119293561
2-amino-3-phenyl-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]propanamide;dihydrochloride
CID 119884525
2-amino-N-[1-(hydroxymethyl)cyclohexyl]-3-phenylpropanamide
CID 62553374
2-amino-N-(3-hydroxypropyl)-3-phenylpropanamide
CID 14308256

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-phenylpropanamide (CID 81433068) is (2S)-2-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-phenylpropanamide is N[C@@H](Cc1ccccc1)C(=O)NCC1(CO)CC1.
What is the InChIKey of (2S)-2-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-phenylpropanamide?
The InChIKey is SAMBKWZWPDMAAK-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H20N2O2/c15-12(8-11-4-2-1-3-5-11)13(18)16-9-14(10-17)6-7-14/h1-5,12,17H,6-10,15H2,(H,16,18)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-phenylpropanamide?
(2S)-2-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-phenylpropanamide has a molecular weight of 248.33 g/mol, XLogP of 0.45, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-phenylpropanamide is sourced from PubChem (CID 81433068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).