(2R)-2-[[4-(dimethylamino)phenyl]carbamoylamino]pentanoic acid

C14H21N3O3 — CID 107566268

IUPAC(2R)-2-[[4-(dimethylamino)phenyl]carbamoylamino]pentanoic acid
SMILESCCC[C@@H](NC(=O)Nc1ccc(N(C)C)cc1)C(=O)O
InChIInChI=1S/C14H21N3O3/c1-4-5-12(13(18)19)16-14(20)15-10-6-8-11(9-7-10)17(2)3/h6-9,12H,4-5H2,1-3H3,(H,18,19)(H2,15,16,20)/t12-/m1/s1
InChIKeyWUEWGQIDSPAHMO-GFCCVEGCSA-N
MW279.34 g/mol
LogP2.13
Rot. Bonds6

About (2R)-2-[[4-(dimethylamino)phenyl]carbamoylamino]pentanoic acid

(2R)-2-[[4-(dimethylamino)phenyl]carbamoylamino]pentanoic acid (PubChem CID 107566268) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is (2R)-2-[[4-(dimethylamino)phenyl]carbamoylamino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[4-(dimethylamino)phenyl]carbamoylamino]pentanoic acid
PubChem CID107566268
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name(2R)-2-[[4-(dimethylamino)phenyl]carbamoylamino]pentanoic acid
SMILESCCC[C@@H](NC(=O)Nc1ccc(N(C)C)cc1)C(=O)O
InChIInChI=1S/C14H21N3O3/c1-4-5-12(13(18)19)16-14(20)15-10-6-8-11(9-7-10)17(2)3/h6-9,12H,4-5H2,1-3H3,(H,18,19)(H2,15,16,20)/t12-/m1/s1
InChIKeyWUEWGQIDSPAHMO-GFCCVEGCSA-N
XLogP2.13
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[[4-(dimethylamino)phenyl]carbamoylamino]-4-methylsulfanylbutanoic acid
CID 61203719
2-[(4-propoxyphenyl)carbamoylamino]pentanoic acid
CID 62328876
(2S)-2-[[4-(dimethylamino)phenyl]carbamoylamino]propanoic acid
CID 78967872
2-[[4-(cyanomethyl)phenyl]carbamoylamino]pentanoic acid
CID 62301370
2-[[4-(difluoromethoxy)phenyl]carbamoylamino]pentanoic acid
CID 61194078
(2S)-2-[(3-acetamidophenyl)carbamoylamino]pentanoic acid
CID 107566022
(2S)-2-(1,3-benzodioxol-5-ylcarbamoylamino)pentanoic acid
CID 107565829
(2R)-2-[(3-bromo-4-methylphenyl)carbamoylamino]pentanoic acid
CID 107566984
3-[[4-(dimethylamino)phenyl]carbamoylamino]-2-methylpropanoic acid
CID 62670467
(2S)-2-[[2-(4-acetamidophenyl)acetyl]amino]pentanoic acid
CID 107564044
(2S)-2-[(3,4,5-trifluorophenyl)carbamoylamino]pentanoic acid
CID 107566862
(2R)-2-[[2-(4-acetamidophenyl)acetyl]amino]pentanoic acid
CID 107563002

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-(dimethylamino)phenyl]carbamoylamino]pentanoic acid?
The IUPAC name of (2R)-2-[[4-(dimethylamino)phenyl]carbamoylamino]pentanoic acid (CID 107566268) is (2R)-2-[[4-(dimethylamino)phenyl]carbamoylamino]pentanoic acid.
What is the SMILES notation for (2R)-2-[[4-(dimethylamino)phenyl]carbamoylamino]pentanoic acid?
The canonical SMILES for (2R)-2-[[4-(dimethylamino)phenyl]carbamoylamino]pentanoic acid is CCC[C@@H](NC(=O)Nc1ccc(N(C)C)cc1)C(=O)O.
What is the InChIKey of (2R)-2-[[4-(dimethylamino)phenyl]carbamoylamino]pentanoic acid?
The InChIKey is WUEWGQIDSPAHMO-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-4-5-12(13(18)19)16-14(20)15-10-6-8-11(9-7-10)17(2)3/h6-9,12H,4-5H2,1-3H3,(H,18,19)(H2,15,16,20)/t12-/m1/s1.
What are the key properties of (2R)-2-[[4-(dimethylamino)phenyl]carbamoylamino]pentanoic acid?
(2R)-2-[[4-(dimethylamino)phenyl]carbamoylamino]pentanoic acid has a molecular weight of 279.34 g/mol, XLogP of 2.13, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-(dimethylamino)phenyl]carbamoylamino]pentanoic acid is sourced from PubChem (CID 107566268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).