2-[3-(cyclopentanecarbonylamino)propanoylamino]-3-methylbutanoic acid

C14H24N2O4 — CID 43354069

IUPAC2-[3-(cyclopentanecarbonylamino)propanoylamino]-3-methylbutanoic acid
SMILESCC(C)C(NC(=O)CCNC(=O)C1CCCC1)C(=O)O
InChIInChI=1S/C14H24N2O4/c1-9(2)12(14(19)20)16-11(17)7-8-15-13(18)10-5-3-4-6-10/h9-10,12H,3-8H2,1-2H3,(H,15,18)(H,16,17)(H,19,20)
InChIKeyKSWCPAKTTOUCNK-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.91
Rot. Bonds7

About 2-[3-(cyclopentanecarbonylamino)propanoylamino]-3-methylbutanoic acid

2-[3-(cyclopentanecarbonylamino)propanoylamino]-3-methylbutanoic acid (PubChem CID 43354069) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[3-(cyclopentanecarbonylamino)propanoylamino]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[3-(cyclopentanecarbonylamino)propanoylamino]-3-methylbutanoic acid
PubChem CID43354069
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name2-[3-(cyclopentanecarbonylamino)propanoylamino]-3-methylbutanoic acid
SMILESCC(C)C(NC(=O)CCNC(=O)C1CCCC1)C(=O)O
InChIInChI=1S/C14H24N2O4/c1-9(2)12(14(19)20)16-11(17)7-8-15-13(18)10-5-3-4-6-10/h9-10,12H,3-8H2,1-2H3,(H,15,18)(H,16,17)(H,19,20)
InChIKeyKSWCPAKTTOUCNK-UHFFFAOYSA-N
XLogP0.91
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(cyclopentanecarbonylamino)propanoylamino]-4-methylpentanoic acid
CID 43170171
3-[3-(cyclopentanecarbonylamino)propanoylamino]-2-methylpropanoic acid
CID 55105354
2-(cyclohexanecarbonylamino)-3-methylbutanoic acid
CID 2958090
(2S)-2-(cyclohexanecarbonylamino)-3-methylbutanoic acid
CID 972243
2-[3-(cyclopentanecarbonylamino)propanoylamino]-3-methoxypropanoic acid
CID 81076784
(2R)-2-(3-acetamidopropanoylamino)-3-methylbutanoic acid
CID 79010789
4-[3-(cyclopentanecarbonylamino)propanoylamino]-3-methylbutanoic acid
CID 81062987
N-[3-(2-hydroxypropylamino)-3-oxopropyl]cyclopentanecarboxamide
CID 43428011
N-[3-[(3-hydroxy-4-methylpentyl)amino]-3-oxopropyl]cyclohexanecarboxamide
CID 111461401
(2S)-2-(3-cyclobutylpropanoylamino)-3-methylbutanoic acid
CID 119360684
2-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]-3-methylbutanoic acid
CID 79400813
2-(3-cyclopropylpropanoylamino)-3-methylbutanoic acid
CID 115729568

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclopentanecarbonylamino)propanoylamino]-3-methylbutanoic acid?
The IUPAC name of 2-[3-(cyclopentanecarbonylamino)propanoylamino]-3-methylbutanoic acid (CID 43354069) is 2-[3-(cyclopentanecarbonylamino)propanoylamino]-3-methylbutanoic acid.
What is the SMILES notation for 2-[3-(cyclopentanecarbonylamino)propanoylamino]-3-methylbutanoic acid?
The canonical SMILES for 2-[3-(cyclopentanecarbonylamino)propanoylamino]-3-methylbutanoic acid is CC(C)C(NC(=O)CCNC(=O)C1CCCC1)C(=O)O.
What is the InChIKey of 2-[3-(cyclopentanecarbonylamino)propanoylamino]-3-methylbutanoic acid?
The InChIKey is KSWCPAKTTOUCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-9(2)12(14(19)20)16-11(17)7-8-15-13(18)10-5-3-4-6-10/h9-10,12H,3-8H2,1-2H3,(H,15,18)(H,16,17)(H,19,20).
What are the key properties of 2-[3-(cyclopentanecarbonylamino)propanoylamino]-3-methylbutanoic acid?
2-[3-(cyclopentanecarbonylamino)propanoylamino]-3-methylbutanoic acid has a molecular weight of 284.36 g/mol, XLogP of 0.91, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclopentanecarbonylamino)propanoylamino]-3-methylbutanoic acid is sourced from PubChem (CID 43354069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).