cis-(1R,3S)-3-[[(2R)-2-amino-4-methylpentanoyl]amino]cyclopentane-1-carboxylic acid

C12H22N2O3 — CID 114173473

IUPACcis-(1R,3S)-3-[[(2R)-2-amino-4-methylpentanoyl]amino]cyclopentane-1-carboxylic acid
SMILESCC(C)C[C@@H](N)C(=O)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C12H22N2O3/c1-7(2)5-10(13)11(15)14-9-4-3-8(6-9)12(16)17/h7-10H,3-6,13H2,1-2H3,(H,14,15)(H,16,17)/t8-,9+,10-/m1/s1
InChIKeyFOGFRWVVACBPCI-KXUCPTDWSA-N
MW242.32 g/mol
LogP0.73
Rot. Bonds5

About cis-(1R,3S)-3-[[(2R)-2-amino-4-methylpentanoyl]amino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[[(2R)-2-amino-4-methylpentanoyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 114173473) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is cis-(1R,3S)-3-[[(2R)-2-amino-4-methylpentanoyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[[(2R)-2-amino-4-methylpentanoyl]amino]cyclopentane-1-carboxylic acid
PubChem CID114173473
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Namecis-(1R,3S)-3-[[(2R)-2-amino-4-methylpentanoyl]amino]cyclopentane-1-carboxylic acid
SMILESCC(C)C[C@@H](N)C(=O)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C12H22N2O3/c1-7(2)5-10(13)11(15)14-9-4-3-8(6-9)12(16)17/h7-10H,3-6,13H2,1-2H3,(H,14,15)(H,16,17)/t8-,9+,10-/m1/s1
InChIKeyFOGFRWVVACBPCI-KXUCPTDWSA-N
XLogP0.73
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze cis-(1R,3S)-3-[[(2R)-2-amino-4-methylpentanoyl]amino]cyclopentane-1-carboxylic acid with MolForge

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Related Compounds

3-[(2-amino-4-methylpentanoyl)amino]cyclohexane-1-carboxylic acid
CID 55147492
cis-(1R,3S)-3-(2-aminobutanoylamino)cyclopentane-1-carboxylic acid
CID 106322701
3-(2-aminopropanoylamino)cyclopentane-1-carboxylic acid
CID 66033141
cis-(1R,3S)-3-[[(2R)-2-aminopentanoyl]amino]cyclopentane-1-carboxylic acid
CID 106322988
3-(2-aminopentanoylamino)cyclopentane-1-carboxylic acid
CID 66031566
(2S)-2-amino-4-methyl-N-(3-methylsulfanylcyclopentyl)pentanamide
CID 103812526
cis-(1R,3S)-3-[[(2R)-2-amino-3-methylbutanoyl]amino]cyclopentane-1-carboxylic acid
CID 106322997
cis-(1R,3S)-3-[(3-amino-2-methylbutanoyl)amino]cyclopentane-1-carboxylic acid
CID 106322641
2-[[(2R)-2-amino-4-methylpentanoyl]amino]cyclohexane-1-carboxylic acid
CID 103869669
2-amino-4-methyl-N-(oxan-4-yl)pentanamide
CID 43610149
2-amino-N-(3-ethylcyclohexyl)-4-methylpentanamide
CID 64750376
3-(4-methylpentanoylamino)cyclopentane-1-carboxylic acid
CID 66030515

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[[(2R)-2-amino-4-methylpentanoyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[[(2R)-2-amino-4-methylpentanoyl]amino]cyclopentane-1-carboxylic acid (CID 114173473) is cis-(1R,3S)-3-[[(2R)-2-amino-4-methylpentanoyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[[(2R)-2-amino-4-methylpentanoyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[[(2R)-2-amino-4-methylpentanoyl]amino]cyclopentane-1-carboxylic acid is CC(C)C[C@@H](N)C(=O)N[C@H]1CC[C@@H](C(=O)O)C1.
What is the InChIKey of cis-(1R,3S)-3-[[(2R)-2-amino-4-methylpentanoyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is FOGFRWVVACBPCI-KXUCPTDWSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-7(2)5-10(13)11(15)14-9-4-3-8(6-9)12(16)17/h7-10H,3-6,13H2,1-2H3,(H,14,15)(H,16,17)/t8-,9+,10-/m1/s1.
What are the key properties of cis-(1R,3S)-3-[[(2R)-2-amino-4-methylpentanoyl]amino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[[(2R)-2-amino-4-methylpentanoyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 242.32 g/mol, XLogP of 0.73, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[[(2R)-2-amino-4-methylpentanoyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114173473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).