(2R)-4-methyl-2-[[(2R)-4-methyl-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]pentanoyl]amino]pentanoic acid

C20H28F3N3O4 — CID 27209117

IUPAC(2R)-4-methyl-2-[[(2R)-4-methyl-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]pentanoyl]amino]pentanoic acid
SMILESCC(C)C[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)Nc1cccc(C(F)(F)F)c1)C(=O)O
InChIInChI=1S/C20H28F3N3O4/c1-11(2)8-15(17(27)25-16(18(28)29)9-12(3)4)26-19(30)24-14-7-5-6-13(10-14)20(21,22)23/h5-7,10-12,15-16H,8-9H2,1-4H3,(H,25,27)(H,28,29)(H2,24,26,30)/t15-,16-/m1/s1
InChIKeyKFSFYAHTWGOIFD-HZPDHXFCSA-N
MW431.46 g/mol
LogP3.86
Rot. Bonds9

About (2R)-4-methyl-2-[[(2R)-4-methyl-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]pentanoyl]amino]pentanoic acid

(2R)-4-methyl-2-[[(2R)-4-methyl-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]pentanoyl]amino]pentanoic acid (PubChem CID 27209117) has the molecular formula C20H28F3N3O4 and a molecular weight of 431.46 g/mol. Its IUPAC name is (2R)-4-methyl-2-[[(2R)-4-methyl-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]pentanoyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-4-methyl-2-[[(2R)-4-methyl-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]pentanoyl]amino]pentanoic acid
PubChem CID27209117
Molecular FormulaC20H28F3N3O4
Molecular Weight431.46 g/mol
Exact Mass431.20
IUPAC Name(2R)-4-methyl-2-[[(2R)-4-methyl-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]pentanoyl]amino]pentanoic acid
SMILESCC(C)C[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)Nc1cccc(C(F)(F)F)c1)C(=O)O
InChIInChI=1S/C20H28F3N3O4/c1-11(2)8-15(17(27)25-16(18(28)29)9-12(3)4)26-19(30)24-14-7-5-6-13(10-14)20(21,22)23/h5-7,10-12,15-16H,8-9H2,1-4H3,(H,25,27)(H,28,29)(H2,24,26,30)/t15-,16-/m1/s1
InChIKeyKFSFYAHTWGOIFD-HZPDHXFCSA-N
XLogP3.86
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.46
LogP ≤ 53.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze (2R)-4-methyl-2-[[(2R)-4-methyl-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]pentanoyl]amino]pentanoic acid with MolForge

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Related Compounds

(2R)-4-methyl-2-[[(2S)-4-methyl-2-(phenylcarbamoylamino)pentanoyl]amino]pentanoic acid
CID 51426594
(2S)-4-methyl-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]pentanoic acid
CID 71569670
(2R)-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]propanoic acid
CID 78972964
(2R)-2-[(3-ethylphenyl)carbamoylamino]-4-methylpentanoic acid
CID 78976235
2-[(3-acetyloxyphenyl)carbamoylamino]-4-methylpentanoic acid
CID 108865131
(2R)-2-[[(2S)-2-[(4-chlorophenyl)carbamoylamino]-4-methylpentanoyl]amino]-4-methylpentanoic acid
CID 40551472
(2S)-4-methyl-2-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]pentanoic acid
CID 119361630
(2S)-2-[[(2S)-2-[[(2S)-2-[(3-fluorophenyl)carbamoylamino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoic acid
CID 139801956
N-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetamide
CID 970620
(2R)-4-methyl-2-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]pentanoic acid
CID 119364531
(2S)-3-methyl-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]butanoate
CID 2025588
(2S)-4-methylsulfanyl-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]butanoate
CID 2022284

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-[[(2R)-4-methyl-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]pentanoyl]amino]pentanoic acid?
The IUPAC name of (2R)-4-methyl-2-[[(2R)-4-methyl-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]pentanoyl]amino]pentanoic acid (CID 27209117) is (2R)-4-methyl-2-[[(2R)-4-methyl-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]pentanoyl]amino]pentanoic acid.
What is the SMILES notation for (2R)-4-methyl-2-[[(2R)-4-methyl-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]pentanoyl]amino]pentanoic acid?
The canonical SMILES for (2R)-4-methyl-2-[[(2R)-4-methyl-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]pentanoyl]amino]pentanoic acid is CC(C)C[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)Nc1cccc(C(F)(F)F)c1)C(=O)O.
What is the InChIKey of (2R)-4-methyl-2-[[(2R)-4-methyl-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]pentanoyl]amino]pentanoic acid?
The InChIKey is KFSFYAHTWGOIFD-HZPDHXFCSA-N. The full InChI is InChI=1S/C20H28F3N3O4/c1-11(2)8-15(17(27)25-16(18(28)29)9-12(3)4)26-19(30)24-14-7-5-6-13(10-14)20(21,22)23/h5-7,10-12,15-16H,8-9H2,1-4H3,(H,25,27)(H,28,29)(H2,24,26,30)/t15-,16-/m1/s1.
What are the key properties of (2R)-4-methyl-2-[[(2R)-4-methyl-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]pentanoyl]amino]pentanoic acid?
(2R)-4-methyl-2-[[(2R)-4-methyl-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]pentanoyl]amino]pentanoic acid has a molecular weight of 431.46 g/mol, XLogP of 3.86, 9 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-2-[[(2R)-4-methyl-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]pentanoyl]amino]pentanoic acid is sourced from PubChem (CID 27209117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).