2-[[[2-(cyclopentylamino)acetyl]amino]methyl]-3-methylbutanoic acid

C13H24N2O3 — CID 65224280

IUPAC2-[[[2-(cyclopentylamino)acetyl]amino]methyl]-3-methylbutanoic acid
SMILESCC(C)C(CNC(=O)CNC1CCCC1)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-9(2)11(13(17)18)7-15-12(16)8-14-10-5-3-4-6-10/h9-11,14H,3-8H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyDBOBIHHOSYCBSS-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.99
Rot. Bonds7

About 2-[[[2-(cyclopentylamino)acetyl]amino]methyl]-3-methylbutanoic acid

2-[[[2-(cyclopentylamino)acetyl]amino]methyl]-3-methylbutanoic acid (PubChem CID 65224280) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[[[2-(cyclopentylamino)acetyl]amino]methyl]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[[[2-(cyclopentylamino)acetyl]amino]methyl]-3-methylbutanoic acid
PubChem CID65224280
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-[[[2-(cyclopentylamino)acetyl]amino]methyl]-3-methylbutanoic acid
SMILESCC(C)C(CNC(=O)CNC1CCCC1)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-9(2)11(13(17)18)7-15-12(16)8-14-10-5-3-4-6-10/h9-11,14H,3-8H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyDBOBIHHOSYCBSS-UHFFFAOYSA-N
XLogP0.99
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopentylamino)-N-(2,3,3-trimethylbutyl)acetamide
CID 83142014
5-[[2-(cyclopentylamino)acetyl]amino]-4-methylpentanoic acid
CID 82689279
2-(cyclopentylamino)-N-(2,2,3-trimethylbutyl)acetamide
CID 114100118
2-(cyclopropylamino)-N-(2,3-dimethylbutyl)acetamide
CID 64598291
(3S)-3-[[[2-(cyclopentylamino)acetyl]amino]methyl]-5-methylhexanoic acid
CID 65493498
2-[[2-(cyclopentylamino)acetyl]amino]-3,3-dimethylbutanoic acid
CID 61161581
2-[[(2-acetamidoacetyl)amino]methyl]-3-methylbutanoic acid
CID 65215296
2-[[2-(cyclopentylamino)acetyl]amino]acetic acid
CID 61158187
N-[2-[[2-(cyclopentylamino)acetyl]amino]ethyl]-2-methylpropanamide
CID 61248306
2-(cyclohexylamino)-N-propan-2-ylacetamide
CID 28565007
2-(cyclododecylamino)-N-ethylacetamide
CID 43399943
2-(cyclooctylamino)-N-ethylacetamide
CID 28575760

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-(cyclopentylamino)acetyl]amino]methyl]-3-methylbutanoic acid?
The IUPAC name of 2-[[[2-(cyclopentylamino)acetyl]amino]methyl]-3-methylbutanoic acid (CID 65224280) is 2-[[[2-(cyclopentylamino)acetyl]amino]methyl]-3-methylbutanoic acid.
What is the SMILES notation for 2-[[[2-(cyclopentylamino)acetyl]amino]methyl]-3-methylbutanoic acid?
The canonical SMILES for 2-[[[2-(cyclopentylamino)acetyl]amino]methyl]-3-methylbutanoic acid is CC(C)C(CNC(=O)CNC1CCCC1)C(=O)O.
What is the InChIKey of 2-[[[2-(cyclopentylamino)acetyl]amino]methyl]-3-methylbutanoic acid?
The InChIKey is DBOBIHHOSYCBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-9(2)11(13(17)18)7-15-12(16)8-14-10-5-3-4-6-10/h9-11,14H,3-8H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2-[[[2-(cyclopentylamino)acetyl]amino]methyl]-3-methylbutanoic acid?
2-[[[2-(cyclopentylamino)acetyl]amino]methyl]-3-methylbutanoic acid has a molecular weight of 256.35 g/mol, XLogP of 0.99, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-(cyclopentylamino)acetyl]amino]methyl]-3-methylbutanoic acid is sourced from PubChem (CID 65224280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).