1-[2-(2-aminopropanoylamino)propanoylamino]cyclopentane-1-carboxylic acid

C12H21N3O4 — CID 67827752

IUPAC1-[2-(2-aminopropanoylamino)propanoylamino]cyclopentane-1-carboxylic acid
SMILESCC(N)C(=O)NC(C)C(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C12H21N3O4/c1-7(13)9(16)14-8(2)10(17)15-12(11(18)19)5-3-4-6-12/h7-8H,3-6,13H2,1-2H3,(H,14,16)(H,15,17)(H,18,19)
InChIKeyFBDRVHSTHIPWRC-UHFFFAOYSA-N
MW271.32 g/mol
LogP-0.65
Rot. Bonds5

About 1-[2-(2-aminopropanoylamino)propanoylamino]cyclopentane-1-carboxylic acid

1-[2-(2-aminopropanoylamino)propanoylamino]cyclopentane-1-carboxylic acid (PubChem CID 67827752) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-[2-(2-aminopropanoylamino)propanoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-aminopropanoylamino)propanoylamino]cyclopentane-1-carboxylic acid
PubChem CID67827752
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Name1-[2-(2-aminopropanoylamino)propanoylamino]cyclopentane-1-carboxylic acid
SMILESCC(N)C(=O)NC(C)C(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C12H21N3O4/c1-7(13)9(16)14-8(2)10(17)15-12(11(18)19)5-3-4-6-12/h7-8H,3-6,13H2,1-2H3,(H,14,16)(H,15,17)(H,18,19)
InChIKeyFBDRVHSTHIPWRC-UHFFFAOYSA-N
XLogP-0.65
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 5-0.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

Glycyl-L-leucine
CID 92843
N-Acetyl-L-Lysine
CID 92907
L-leucyl-L-leucine
CID 76807
L-Alanyl-L-leucine
CID 96801
Ala-Ile
CID 7408079
Glycylisoleucine
CID 259613
IV
CID 435949
Ile-Leu
CID 7019083
Dilysine
CID 128837
glycyl-L-isoleucine
CID 88079
Ac-Leu-Leu-Norleucinol
CID 446403
Leucylvaline
CID 352038

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-aminopropanoylamino)propanoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-(2-aminopropanoylamino)propanoylamino]cyclopentane-1-carboxylic acid (CID 67827752) is 1-[2-(2-aminopropanoylamino)propanoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-(2-aminopropanoylamino)propanoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-(2-aminopropanoylamino)propanoylamino]cyclopentane-1-carboxylic acid is CC(N)C(=O)NC(C)C(=O)NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[2-(2-aminopropanoylamino)propanoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is FBDRVHSTHIPWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-7(13)9(16)14-8(2)10(17)15-12(11(18)19)5-3-4-6-12/h7-8H,3-6,13H2,1-2H3,(H,14,16)(H,15,17)(H,18,19).
What are the key properties of 1-[2-(2-aminopropanoylamino)propanoylamino]cyclopentane-1-carboxylic acid?
1-[2-(2-aminopropanoylamino)propanoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 271.32 g/mol, XLogP of -0.65, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-aminopropanoylamino)propanoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 67827752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).