2-[[1-carboxy-2-[4-(propan-2-ylcarbamoyl)phenyl]ethyl]amino]-4-methylpentanoic acid

C19H28N2O5 — CID 23573035

IUPAC2-[[1-carboxy-2-[4-(propan-2-ylcarbamoyl)phenyl]ethyl]amino]-4-methylpentanoic acid
SMILESCC(C)CC(NC(Cc1ccc(C(=O)NC(C)C)cc1)C(=O)O)C(=O)O
InChIInChI=1S/C19H28N2O5/c1-11(2)9-15(18(23)24)21-16(19(25)26)10-13-5-7-14(8-6-13)17(22)20-12(3)4/h5-8,11-12,15-16,21H,9-10H2,1-4H3,(H,20,22)(H,23,24)(H,25,26)
InChIKeyIVIARGZZZXAPNT-UHFFFAOYSA-N
MW364.44 g/mol
LogP1.91
Rot. Bonds10

About 2-[[1-carboxy-2-[4-(propan-2-ylcarbamoyl)phenyl]ethyl]amino]-4-methylpentanoic acid

2-[[1-carboxy-2-[4-(propan-2-ylcarbamoyl)phenyl]ethyl]amino]-4-methylpentanoic acid (PubChem CID 23573035) has the molecular formula C19H28N2O5 and a molecular weight of 364.44 g/mol. Its IUPAC name is 2-[[1-carboxy-2-[4-(propan-2-ylcarbamoyl)phenyl]ethyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[[1-carboxy-2-[4-(propan-2-ylcarbamoyl)phenyl]ethyl]amino]-4-methylpentanoic acid
PubChem CID23573035
Molecular FormulaC19H28N2O5
Molecular Weight364.44 g/mol
Exact Mass364.20
IUPAC Name2-[[1-carboxy-2-[4-(propan-2-ylcarbamoyl)phenyl]ethyl]amino]-4-methylpentanoic acid
SMILESCC(C)CC(NC(Cc1ccc(C(=O)NC(C)C)cc1)C(=O)O)C(=O)O
InChIInChI=1S/C19H28N2O5/c1-11(2)9-15(18(23)24)21-16(19(25)26)10-13-5-7-14(8-6-13)17(22)20-12(3)4/h5-8,11-12,15-16,21H,9-10H2,1-4H3,(H,20,22)(H,23,24)(H,25,26)
InChIKeyIVIARGZZZXAPNT-UHFFFAOYSA-N
XLogP1.91
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 51.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-[[1-carboxy-2-[4-(propan-2-ylcarbamoyl)phenyl]ethyl]amino]-4-methylpentanoic acid with MolForge

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Related Compounds

(2S)-2-[(4-ethylbenzoyl)amino]-4-methylpentanoic acid
CID 971688
(2S)-2-[[(2R)-2-benzamido-3-phenylpropanoyl]amino]-4-methylpentanoic acid
CID 7324596
2-[(4-acetylbenzoyl)amino]-4-methylpentanoic acid
CID 119188047
(2S)-2-[(4-acetylbenzoyl)amino]-4-methylpentanoic acid
CID 119361717
4-(2-aminopropyl)-N-propan-2-ylbenzamide
CID 170891728
(2R)-2-[(4-fluorobenzoyl)amino]-4-methylpentanoic acid
CID 2451208
(2R)-2-[(4-aminobenzoyl)amino]-4-methylpentanoic acid
CID 78975427
4-methyl-2-[(4-phenylbenzoyl)amino]pentanoic acid
CID 17380410
3-(4-hydroxyphenyl)-2-(4-methylpentan-2-ylamino)propanoic acid
CID 114284796
2-[[4-[[1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl]benzoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 3417680
(2S)-3-(4-methylphenyl)-2-[[(2S)-4-methyl-2-(propan-2-ylamino)pentanoyl]amino]propanoic acid
CID 59926456
(2S)-2-[[2-[[4-(methoxymethyl)benzoyl]amino]acetyl]amino]-4-methylpentanoic acid
CID 120694973

Frequently Asked Questions

What is the IUPAC name of 2-[[1-carboxy-2-[4-(propan-2-ylcarbamoyl)phenyl]ethyl]amino]-4-methylpentanoic acid?
The IUPAC name of 2-[[1-carboxy-2-[4-(propan-2-ylcarbamoyl)phenyl]ethyl]amino]-4-methylpentanoic acid (CID 23573035) is 2-[[1-carboxy-2-[4-(propan-2-ylcarbamoyl)phenyl]ethyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for 2-[[1-carboxy-2-[4-(propan-2-ylcarbamoyl)phenyl]ethyl]amino]-4-methylpentanoic acid?
The canonical SMILES for 2-[[1-carboxy-2-[4-(propan-2-ylcarbamoyl)phenyl]ethyl]amino]-4-methylpentanoic acid is CC(C)CC(NC(Cc1ccc(C(=O)NC(C)C)cc1)C(=O)O)C(=O)O.
What is the InChIKey of 2-[[1-carboxy-2-[4-(propan-2-ylcarbamoyl)phenyl]ethyl]amino]-4-methylpentanoic acid?
The InChIKey is IVIARGZZZXAPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O5/c1-11(2)9-15(18(23)24)21-16(19(25)26)10-13-5-7-14(8-6-13)17(22)20-12(3)4/h5-8,11-12,15-16,21H,9-10H2,1-4H3,(H,20,22)(H,23,24)(H,25,26).
What are the key properties of 2-[[1-carboxy-2-[4-(propan-2-ylcarbamoyl)phenyl]ethyl]amino]-4-methylpentanoic acid?
2-[[1-carboxy-2-[4-(propan-2-ylcarbamoyl)phenyl]ethyl]amino]-4-methylpentanoic acid has a molecular weight of 364.44 g/mol, XLogP of 1.91, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-carboxy-2-[4-(propan-2-ylcarbamoyl)phenyl]ethyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 23573035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).