3-methyl-2-[[2-(propan-2-ylamino)acetyl]amino]pentanoic acid

C11H22N2O3 — CID 61157730

IUPAC3-methyl-2-[[2-(propan-2-ylamino)acetyl]amino]pentanoic acid
SMILESCCC(C)C(NC(=O)CNC(C)C)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-5-8(4)10(11(15)16)13-9(14)6-12-7(2)3/h7-8,10,12H,5-6H2,1-4H3,(H,13,14)(H,15,16)
InChIKeyQCIDRZQMOLLWDI-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.60
Rot. Bonds7

About 3-methyl-2-[[2-(propan-2-ylamino)acetyl]amino]pentanoic acid

3-methyl-2-[[2-(propan-2-ylamino)acetyl]amino]pentanoic acid (PubChem CID 61157730) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-methyl-2-[[2-(propan-2-ylamino)acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name3-methyl-2-[[2-(propan-2-ylamino)acetyl]amino]pentanoic acid
PubChem CID61157730
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name3-methyl-2-[[2-(propan-2-ylamino)acetyl]amino]pentanoic acid
SMILESCCC(C)C(NC(=O)CNC(C)C)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-5-8(4)10(11(15)16)13-9(14)6-12-7(2)3/h7-8,10,12H,5-6H2,1-4H3,(H,13,14)(H,15,16)
InChIKeyQCIDRZQMOLLWDI-UHFFFAOYSA-N
XLogP0.60
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoylamino]pentanoic acid
CID 61201554
2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-methylpentanoic acid
CID 4182583
2-[(2-fluoroacetyl)amino]-3-methylpentanoic acid
CID 139416074
(2S,3S)-2-[[2-(cyclopropylamino)acetyl]amino]-3-methylpentanoic acid
CID 61172077
2-(carboxyamino)-3-methylpentanoic acid
CID 19101858
[2-[[(1S,2S)-1-carboxy-2-methylbutyl]amino]-2-oxoethyl]-trimethylazanium
CID 44551456
(2S,3S)-2-(3,4-dimethylpentanoylamino)-3-methylpentanoic acid
CID 119193969
(2S,3S)-2-[[2-(3,3-dimethylbutanoylamino)acetyl]amino]-3-methylpentanoic acid
CID 119194294
(2S,3S)-2-(3,3-dimethylbutanoylamino)-3-methylpentanoic acid
CID 30077393
3-methyl-2-[(2-methylsulfanylacetyl)amino]pentanoic acid
CID 43183431
(2S,3S)-2-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]-3-methylpentanoic acid
CID 82961749
2-(3-methoxypropanoylamino)-3-methylpentanoic acid
CID 60759451

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[2-(propan-2-ylamino)acetyl]amino]pentanoic acid?
The IUPAC name of 3-methyl-2-[[2-(propan-2-ylamino)acetyl]amino]pentanoic acid (CID 61157730) is 3-methyl-2-[[2-(propan-2-ylamino)acetyl]amino]pentanoic acid.
What is the SMILES notation for 3-methyl-2-[[2-(propan-2-ylamino)acetyl]amino]pentanoic acid?
The canonical SMILES for 3-methyl-2-[[2-(propan-2-ylamino)acetyl]amino]pentanoic acid is CCC(C)C(NC(=O)CNC(C)C)C(=O)O.
What is the InChIKey of 3-methyl-2-[[2-(propan-2-ylamino)acetyl]amino]pentanoic acid?
The InChIKey is QCIDRZQMOLLWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-5-8(4)10(11(15)16)13-9(14)6-12-7(2)3/h7-8,10,12H,5-6H2,1-4H3,(H,13,14)(H,15,16).
What are the key properties of 3-methyl-2-[[2-(propan-2-ylamino)acetyl]amino]pentanoic acid?
3-methyl-2-[[2-(propan-2-ylamino)acetyl]amino]pentanoic acid has a molecular weight of 230.31 g/mol, XLogP of 0.60, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[2-(propan-2-ylamino)acetyl]amino]pentanoic acid is sourced from PubChem (CID 61157730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).