(3S)-3-[[[2-(cyclopentylamino)acetyl]amino]methyl]-5-methylhexanoic acid

C15H28N2O3 — CID 65493498

IUPAC(3S)-3-[[[2-(cyclopentylamino)acetyl]amino]methyl]-5-methylhexanoic acid
SMILESCC(C)C[C@H](CNC(=O)CNC1CCCC1)CC(=O)O
InChIInChI=1S/C15H28N2O3/c1-11(2)7-12(8-15(19)20)9-17-14(18)10-16-13-5-3-4-6-13/h11-13,16H,3-10H2,1-2H3,(H,17,18)(H,19,20)/t12-/m0/s1
InChIKeyVYEYAXUBSDHLAV-LBPRGKRZSA-N
MW284.40 g/mol
LogP1.77
Rot. Bonds9

About (3S)-3-[[[2-(cyclopentylamino)acetyl]amino]methyl]-5-methylhexanoic acid

(3S)-3-[[[2-(cyclopentylamino)acetyl]amino]methyl]-5-methylhexanoic acid (PubChem CID 65493498) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is (3S)-3-[[[2-(cyclopentylamino)acetyl]amino]methyl]-5-methylhexanoic acid.

Molecular Properties

Compound Name(3S)-3-[[[2-(cyclopentylamino)acetyl]amino]methyl]-5-methylhexanoic acid
PubChem CID65493498
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name(3S)-3-[[[2-(cyclopentylamino)acetyl]amino]methyl]-5-methylhexanoic acid
SMILESCC(C)C[C@H](CNC(=O)CNC1CCCC1)CC(=O)O
InChIInChI=1S/C15H28N2O3/c1-11(2)7-12(8-15(19)20)9-17-14(18)10-16-13-5-3-4-6-13/h11-13,16H,3-10H2,1-2H3,(H,17,18)(H,19,20)/t12-/m0/s1
InChIKeyVYEYAXUBSDHLAV-LBPRGKRZSA-N
XLogP1.77
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(cycloheptylamino)methyl]-5-methylhexanoic acid
CID 82932880
5-[[2-(cyclopentylamino)acetyl]amino]-4-methylpentanoic acid
CID 82689279
2-[[[2-(cyclopentylamino)acetyl]amino]methyl]-3-methylbutanoic acid
CID 65224280
CID 145148845
CID 145148845
3-[[[2-(2,2-dimethylpropanoylamino)acetyl]amino]methyl]-5-methylhexanoic acid
CID 65493920
2-(cyclopentylamino)-N-(2,3,3-trimethylbutyl)acetamide
CID 83142014
2-[[2-(cyclopentylamino)acetyl]amino]acetic acid
CID 61158187
5-methyl-3-[(3-piperidin-4-ylpropanoylamino)methyl]hexanoic acid
CID 65493929
(3S)-5-methyl-3-[[[(2S)-piperidine-2-carbonyl]amino]methyl]hexanoic acid
CID 103869655
2-(cyclopropylamino)-N-(4-methyl-2-morpholin-4-ylpentyl)acetamide
CID 61249539
2-(cyclohexylamino)-N-propan-2-ylacetamide
CID 28565007
(3S)-3-[(3-aminopropanoylamino)methyl]-5-methylhexanoic acid
CID 65493919

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[[2-(cyclopentylamino)acetyl]amino]methyl]-5-methylhexanoic acid?
The IUPAC name of (3S)-3-[[[2-(cyclopentylamino)acetyl]amino]methyl]-5-methylhexanoic acid (CID 65493498) is (3S)-3-[[[2-(cyclopentylamino)acetyl]amino]methyl]-5-methylhexanoic acid.
What is the SMILES notation for (3S)-3-[[[2-(cyclopentylamino)acetyl]amino]methyl]-5-methylhexanoic acid?
The canonical SMILES for (3S)-3-[[[2-(cyclopentylamino)acetyl]amino]methyl]-5-methylhexanoic acid is CC(C)C[C@H](CNC(=O)CNC1CCCC1)CC(=O)O.
What is the InChIKey of (3S)-3-[[[2-(cyclopentylamino)acetyl]amino]methyl]-5-methylhexanoic acid?
The InChIKey is VYEYAXUBSDHLAV-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-11(2)7-12(8-15(19)20)9-17-14(18)10-16-13-5-3-4-6-13/h11-13,16H,3-10H2,1-2H3,(H,17,18)(H,19,20)/t12-/m0/s1.
What are the key properties of (3S)-3-[[[2-(cyclopentylamino)acetyl]amino]methyl]-5-methylhexanoic acid?
(3S)-3-[[[2-(cyclopentylamino)acetyl]amino]methyl]-5-methylhexanoic acid has a molecular weight of 284.40 g/mol, XLogP of 1.77, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[[2-(cyclopentylamino)acetyl]amino]methyl]-5-methylhexanoic acid is sourced from PubChem (CID 65493498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).