(2S)-4-methyl-2-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]pentanoic acid

C14H24N2O4 — CID 61154993

IUPAC(2S)-4-methyl-2-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]pentanoic acid
SMILESCC(C)C[C@H](NC(=O)CCNC(=O)C1CC1C)C(=O)O
InChIInChI=1S/C14H24N2O4/c1-8(2)6-11(14(19)20)16-12(17)4-5-15-13(18)10-7-9(10)3/h8-11H,4-7H2,1-3H3,(H,15,18)(H,16,17)(H,19,20)/t9?,10?,11-/m0/s1
InChIKeyGRQGRBXQXCFUNX-ILDUYXDCSA-N
MW284.36 g/mol
LogP0.76
Rot. Bonds8

About (2S)-4-methyl-2-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]pentanoic acid

(2S)-4-methyl-2-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]pentanoic acid (PubChem CID 61154993) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is (2S)-4-methyl-2-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]pentanoic acid.

Molecular Properties

Compound Name(2S)-4-methyl-2-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]pentanoic acid
PubChem CID61154993
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name(2S)-4-methyl-2-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]pentanoic acid
SMILESCC(C)C[C@H](NC(=O)CCNC(=O)C1CC1C)C(=O)O
InChIInChI=1S/C14H24N2O4/c1-8(2)6-11(14(19)20)16-12(17)4-5-15-13(18)10-7-9(10)3/h8-11H,4-7H2,1-3H3,(H,15,18)(H,16,17)(H,19,20)/t9?,10?,11-/m0/s1
InChIKeyGRQGRBXQXCFUNX-ILDUYXDCSA-N
XLogP0.76
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(cyclopentanecarbonylamino)propanoylamino]-4-methylpentanoic acid
CID 43170171
(2S)-2-(3-acetamidopropanoylamino)-4-methylpentanoic acid
CID 61137787
4-methyl-2-(3-methylsulfanylpropanoylamino)pentanoic acid
CID 43183366
(2R)-2-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]-4-methylpentanoic acid
CID 79401644
(2R)-2-[3-(tert-butylamino)propanoylamino]-4-methylpentanoic acid
CID 78975548
4-methyl-2-[[(3S,4S)-4-methylpyrrolidine-3-carbonyl]amino]pentanoic acid
CID 114084816
(2R)-2-[[4-(2-acetamidoethylamino)-4-oxobutanoyl]amino]-4-methylpentanoic acid
CID 92928341
(2S)-2-[[3,5-bis[[(1S)-1-carboxy-3-methylbutyl]carbamoyl]cyclohexanecarbonyl]amino]-4-methylpentanoic acid
CID 132574091
(2S)-2-[[2-[[2-(3,4-difluorophenyl)cyclopropanecarbonyl]amino]acetyl]amino]-4-methylpentanoic acid
CID 120695218
N-[3-[[(1R)-2-hydroxy-1-phenylethyl]amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 103944596
(2S)-2-[(2-chloroacetyl)amino]-4-methylpentanoic acid
CID 2795110
N-[3-(tert-butylamino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 71942014

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]pentanoic acid?
The IUPAC name of (2S)-4-methyl-2-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]pentanoic acid (CID 61154993) is (2S)-4-methyl-2-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]pentanoic acid.
What is the SMILES notation for (2S)-4-methyl-2-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]pentanoic acid?
The canonical SMILES for (2S)-4-methyl-2-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]pentanoic acid is CC(C)C[C@H](NC(=O)CCNC(=O)C1CC1C)C(=O)O.
What is the InChIKey of (2S)-4-methyl-2-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]pentanoic acid?
The InChIKey is GRQGRBXQXCFUNX-ILDUYXDCSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-8(2)6-11(14(19)20)16-12(17)4-5-15-13(18)10-7-9(10)3/h8-11H,4-7H2,1-3H3,(H,15,18)(H,16,17)(H,19,20)/t9?,10?,11-/m0/s1.
What are the key properties of (2S)-4-methyl-2-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]pentanoic acid?
(2S)-4-methyl-2-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]pentanoic acid has a molecular weight of 284.36 g/mol, XLogP of 0.76, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]pentanoic acid is sourced from PubChem (CID 61154993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).