cis-(1R,3S)-3-[[methyl-[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]amino]cyclopentane-1-carboxylic acid

C14H25N3O4 — CID 106320024

About cis-(1R,3S)-3-[[methyl-[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]amino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[[methyl-[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 106320024) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is cis-(1R,3S)-3-[[methyl-[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

• Compound Name: cis-(1R,3S)-3-[[methyl-[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]amino]cyclopentane-1-carboxylic acid
• PubChem CID: 106320024
• Molecular Formula: C14H25N3O4
• Molecular Weight: 299.37 g/mol
• Exact Mass: 299.18
• IUPAC Name: cis-(1R,3S)-3-[[methyl-[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]amino]cyclopentane-1-carboxylic acid
• SMILES: CC(C)CNC(=O)CN(C)C(=O)N[C@H]1CC[C@@H](C(=O)O)C1
• InChI: InChI=1S/C14H25N3O4/c1-9(2)7-15-12(18)8-17(3)14(21)16-11-5-4-10(6-11)13(19)20/h9-11H,4-8H2,1-3H3,(H,15,18)(H,16,21)(H,19,20)/t10-,11+/m1/s1
• InChIKey: YBSHAUPESABJJJ-MNOVXSKESA-N
• XLogP: 0.65
• TPSA: 98.74 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	299.37
LogP ≤ 5	0.65
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[[methyl-[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]amino]cyclopentane-1-carboxylic acid?

The IUPAC name of cis-(1R,3S)-3-[[methyl-[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]amino]cyclopentane-1-carboxylic acid (CID 106320024) is cis-(1R,3S)-3-[[methyl-[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]amino]cyclopentane-1-carboxylic acid.

What is the SMILES notation for cis-(1R,3S)-3-[[methyl-[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]amino]cyclopentane-1-carboxylic acid?

The canonical SMILES for cis-(1R,3S)-3-[[methyl-[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]amino]cyclopentane-1-carboxylic acid is CC(C)CNC(=O)CN(C)C(=O)N[C@H]1CC[C@@H](C(=O)O)C1.

What is the InChIKey of cis-(1R,3S)-3-[[methyl-[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]amino]cyclopentane-1-carboxylic acid?

The InChIKey is YBSHAUPESABJJJ-MNOVXSKESA-N. The full InChI is InChI=1S/C14H25N3O4/c1-9(2)7-15-12(18)8-17(3)14(21)16-11-5-4-10(6-11)13(19)20/h9-11H,4-8H2,1-3H3,(H,15,18)(H,16,21)(H,19,20)/t10-,11+/m1/s1.

What are the key properties of cis-(1R,3S)-3-[[methyl-[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]amino]cyclopentane-1-carboxylic acid?

cis-(1R,3S)-3-[[methyl-[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 299.37 g/mol, XLogP of 0.65, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1R,3S)-3-[[methyl-[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106320024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).