(2R)-2-[[4-[[ethyl(propyl)amino]methyl]benzoyl]amino]propanoic acid

C16H24N2O3 — CID 119369868

IUPAC(2R)-2-[[4-[[ethyl(propyl)amino]methyl]benzoyl]amino]propanoic acid
SMILESCCCN(CC)Cc1ccc(C(=O)N[C@H](C)C(=O)O)cc1
InChIInChI=1S/C16H24N2O3/c1-4-10-18(5-2)11-13-6-8-14(9-7-13)15(19)17-12(3)16(20)21/h6-9,12H,4-5,10-11H2,1-3H3,(H,17,19)(H,20,21)/t12-/m1/s1
InChIKeyBFULXVIOHTWSTI-GFCCVEGCSA-N
MW292.38 g/mol
LogP2.12
Rot. Bonds8

About (2R)-2-[[4-[[ethyl(propyl)amino]methyl]benzoyl]amino]propanoic acid

(2R)-2-[[4-[[ethyl(propyl)amino]methyl]benzoyl]amino]propanoic acid (PubChem CID 119369868) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is (2R)-2-[[4-[[ethyl(propyl)amino]methyl]benzoyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[4-[[ethyl(propyl)amino]methyl]benzoyl]amino]propanoic acid
PubChem CID119369868
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name(2R)-2-[[4-[[ethyl(propyl)amino]methyl]benzoyl]amino]propanoic acid
SMILESCCCN(CC)Cc1ccc(C(=O)N[C@H](C)C(=O)O)cc1
InChIInChI=1S/C16H24N2O3/c1-4-10-18(5-2)11-13-6-8-14(9-7-13)15(19)17-12(3)16(20)21/h6-9,12H,4-5,10-11H2,1-3H3,(H,17,19)(H,20,21)/t12-/m1/s1
InChIKeyBFULXVIOHTWSTI-GFCCVEGCSA-N
XLogP2.12
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[4-[[ethyl(propyl)amino]methyl]benzoyl]amino]-3-methylbutanoic acid
CID 119368577
4-[(dipropylamino)methyl]-N-(1-phenylpropan-2-yl)benzamide
CID 3027107
2-[[4-(1-carboxyethylcarbamoyl)benzoyl]amino]propanoic acid
CID 4130949
(2R)-2-[[4-[[(1R)-1-carboxyethyl]carbamoyl]benzoyl]amino]propanoic acid
CID 40571784
4-[(dipropylamino)methyl]-N-(1-phenylpropan-2-yl)benzamide;hydrochloride
CID 3027106
2-[[4-(cyanomethyl)benzoyl]amino]propanoic acid
CID 82178772
4-[[ethyl(2-hydroxyethyl)amino]methyl]benzohydrazide
CID 63572832
(2R)-2-[[4-(4-butylphenyl)benzoyl]amino]propanoic acid
CID 90161880
4-[(dipropylamino)methyl]benzoic acid;hydrochloride
CID 75531543
4-[[2-hydroxyethyl(propyl)amino]methyl]-N-phenylbenzamide
CID 110881712
4-[(dibutylamino)methyl]-N-[(2R)-1-phenylpropan-2-yl]benzamide
CID 129361894
2-[(4-propan-2-ylbenzoyl)amino]propanoic acid
CID 16769025

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-[[ethyl(propyl)amino]methyl]benzoyl]amino]propanoic acid?
The IUPAC name of (2R)-2-[[4-[[ethyl(propyl)amino]methyl]benzoyl]amino]propanoic acid (CID 119369868) is (2R)-2-[[4-[[ethyl(propyl)amino]methyl]benzoyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-[[4-[[ethyl(propyl)amino]methyl]benzoyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-[[4-[[ethyl(propyl)amino]methyl]benzoyl]amino]propanoic acid is CCCN(CC)Cc1ccc(C(=O)N[C@H](C)C(=O)O)cc1.
What is the InChIKey of (2R)-2-[[4-[[ethyl(propyl)amino]methyl]benzoyl]amino]propanoic acid?
The InChIKey is BFULXVIOHTWSTI-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-4-10-18(5-2)11-13-6-8-14(9-7-13)15(19)17-12(3)16(20)21/h6-9,12H,4-5,10-11H2,1-3H3,(H,17,19)(H,20,21)/t12-/m1/s1.
What are the key properties of (2R)-2-[[4-[[ethyl(propyl)amino]methyl]benzoyl]amino]propanoic acid?
(2R)-2-[[4-[[ethyl(propyl)amino]methyl]benzoyl]amino]propanoic acid has a molecular weight of 292.38 g/mol, XLogP of 2.12, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-[[ethyl(propyl)amino]methyl]benzoyl]amino]propanoic acid is sourced from PubChem (CID 119369868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).