(2R)-N-[4-[[acetyl(cyclopropyl)amino]methyl]phenyl]-2-aminopropanamide;hydrochloride

C15H22ClN3O2 — CID 119328523

IUPAC(2R)-N-[4-[[acetyl(cyclopropyl)amino]methyl]phenyl]-2-aminopropanamide;hydrochloride
SMILESCC(=O)N(Cc1ccc(NC(=O)[C@@H](C)N)cc1)C1CC1.Cl
InChIInChI=1S/C15H21N3O2.ClH/c1-10(16)15(20)17-13-5-3-12(4-6-13)9-18(11(2)19)14-7-8-14;/h3-6,10,14H,7-9,16H2,1-2H3,(H,17,20);1H/t10-;/m1./s1
InChIKeyUMJNNWDWBXPZQQ-HNCPQSOCSA-N
MW311.81 g/mol
LogP1.90
Rot. Bonds5

About (2R)-N-[4-[[acetyl(cyclopropyl)amino]methyl]phenyl]-2-aminopropanamide;hydrochloride

(2R)-N-[4-[[acetyl(cyclopropyl)amino]methyl]phenyl]-2-aminopropanamide;hydrochloride (PubChem CID 119328523) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is (2R)-N-[4-[[acetyl(cyclopropyl)amino]methyl]phenyl]-2-aminopropanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-N-[4-[[acetyl(cyclopropyl)amino]methyl]phenyl]-2-aminopropanamide;hydrochloride
PubChem CID119328523
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC Name(2R)-N-[4-[[acetyl(cyclopropyl)amino]methyl]phenyl]-2-aminopropanamide;hydrochloride
SMILESCC(=O)N(Cc1ccc(NC(=O)[C@@H](C)N)cc1)C1CC1.Cl
InChIInChI=1S/C15H21N3O2.ClH/c1-10(16)15(20)17-13-5-3-12(4-6-13)9-18(11(2)19)14-7-8-14;/h3-6,10,14H,7-9,16H2,1-2H3,(H,17,20);1H/t10-;/m1./s1
InChIKeyUMJNNWDWBXPZQQ-HNCPQSOCSA-N
XLogP1.90
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[4-[(dimethylamino)methyl]phenyl]propanamide
CID 61146186
N-(4-acetamidophenyl)-2-aminopropanamide;hydrochloride
CID 119261426
(2S)-2-amino-N-[4-(cyclopentyloxymethyl)phenyl]propanamide
CID 119330095
(2S)-2-amino-N-[4-(hydroxymethyl)phenyl]propanamide
CID 103691721
(2S)-2-amino-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]propanamide;hydrochloride
CID 119273120
2-amino-N-(4-propylphenyl)propanamide
CID 43378686
(2S)-2-amino-N-cyclopropyl-N-[(4-methylphenyl)methyl]propanamide
CID 66568238
4-[[[(2R)-2-aminopropanoyl]-cyclopropylamino]methyl]benzamide;hydrochloride
CID 119291590
N-[4-[[acetyl(cyclopropyl)amino]methyl]phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119792412
4-[[[4-[[acetyl(cyclopropyl)amino]methyl]phenyl]carbamoylamino]methyl]benzoic acid
CID 122085075
N-[4-[[acetyl(cyclopropyl)amino]methyl]phenyl]-2-(4-ethylphenyl)-2-methylpropanamide
CID 91644095
(2S)-2-amino-N-[4-(hydroxymethyl)phenyl]propanamide;methanol;molecular hydrogen
CID 142530006

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-[[acetyl(cyclopropyl)amino]methyl]phenyl]-2-aminopropanamide;hydrochloride?
The IUPAC name of (2R)-N-[4-[[acetyl(cyclopropyl)amino]methyl]phenyl]-2-aminopropanamide;hydrochloride (CID 119328523) is (2R)-N-[4-[[acetyl(cyclopropyl)amino]methyl]phenyl]-2-aminopropanamide;hydrochloride.
What is the SMILES notation for (2R)-N-[4-[[acetyl(cyclopropyl)amino]methyl]phenyl]-2-aminopropanamide;hydrochloride?
The canonical SMILES for (2R)-N-[4-[[acetyl(cyclopropyl)amino]methyl]phenyl]-2-aminopropanamide;hydrochloride is CC(=O)N(Cc1ccc(NC(=O)[C@@H](C)N)cc1)C1CC1.Cl.
What is the InChIKey of (2R)-N-[4-[[acetyl(cyclopropyl)amino]methyl]phenyl]-2-aminopropanamide;hydrochloride?
The InChIKey is UMJNNWDWBXPZQQ-HNCPQSOCSA-N. The full InChI is InChI=1S/C15H21N3O2.ClH/c1-10(16)15(20)17-13-5-3-12(4-6-13)9-18(11(2)19)14-7-8-14;/h3-6,10,14H,7-9,16H2,1-2H3,(H,17,20);1H/t10-;/m1./s1.
What are the key properties of (2R)-N-[4-[[acetyl(cyclopropyl)amino]methyl]phenyl]-2-aminopropanamide;hydrochloride?
(2R)-N-[4-[[acetyl(cyclopropyl)amino]methyl]phenyl]-2-aminopropanamide;hydrochloride has a molecular weight of 311.81 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-[[acetyl(cyclopropyl)amino]methyl]phenyl]-2-aminopropanamide;hydrochloride is sourced from PubChem (CID 119328523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).