3-[[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]methyl]pentanoic acid

C14H24N2O3 — CID 81069382

IUPAC3-[[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]methyl]pentanoic acid
SMILESCCC(CNC(=O)N(CC1CC1)C1CC1)CC(=O)O
InChIInChI=1S/C14H24N2O3/c1-2-10(7-13(17)18)8-15-14(19)16(12-5-6-12)9-11-3-4-11/h10-12H,2-9H2,1H3,(H,15,19)(H,17,18)
InChIKeyPFSPDNWPCMOBIH-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.07
Rot. Bonds8

About 3-[[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]methyl]pentanoic acid

3-[[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]methyl]pentanoic acid (PubChem CID 81069382) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-[[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]methyl]pentanoic acid.

Molecular Properties

Compound Name3-[[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]methyl]pentanoic acid
PubChem CID81069382
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name3-[[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]methyl]pentanoic acid
SMILESCCC(CNC(=O)N(CC1CC1)C1CC1)CC(=O)O
InChIInChI=1S/C14H24N2O3/c1-2-10(7-13(17)18)8-15-14(19)16(12-5-6-12)9-11-3-4-11/h10-12H,2-9H2,1H3,(H,15,19)(H,17,18)
InChIKeyPFSPDNWPCMOBIH-UHFFFAOYSA-N
XLogP2.07
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[[cyclopropylmethyl(propyl)carbamoyl]amino]methyl]pentanoic acid
CID 81069707
3-[[[methyl(piperidin-4-yl)carbamoyl]amino]methyl]pentanoic acid
CID 81069336
3-[[[1-cyclopropylethyl(methyl)carbamoyl]amino]methyl]pentanoic acid
CID 81069543
3-[[[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]amino]methyl]pentanoic acid
CID 81069894
3-[[[2-bicyclo[2.2.1]heptanylmethyl(methyl)carbamoyl]amino]methyl]pentanoic acid
CID 81068551
3-[[(2-amino-3-cyclopropylpropanoyl)amino]methyl]pentanoic acid
CID 112735393
(2S)-2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]-3-methylpentanoic acid
CID 64520008
(2R)-2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]propanoic acid
CID 64522000
3-[[[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]amino]methyl]pentanoic acid
CID 81071790
(2R)-2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]pentanoic acid
CID 107567101
3-[(cyclopentylmethylcarbamoylamino)methyl]pentanoic acid
CID 81069465
3-[[[cyclobutylmethyl(ethyl)carbamoyl]amino]methyl]-5-methylhexanoic acid
CID 107400095

Frequently Asked Questions

What is the IUPAC name of 3-[[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]methyl]pentanoic acid?
The IUPAC name of 3-[[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]methyl]pentanoic acid (CID 81069382) is 3-[[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]methyl]pentanoic acid.
What is the SMILES notation for 3-[[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]methyl]pentanoic acid?
The canonical SMILES for 3-[[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]methyl]pentanoic acid is CCC(CNC(=O)N(CC1CC1)C1CC1)CC(=O)O.
What is the InChIKey of 3-[[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]methyl]pentanoic acid?
The InChIKey is PFSPDNWPCMOBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-2-10(7-13(17)18)8-15-14(19)16(12-5-6-12)9-11-3-4-11/h10-12H,2-9H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 3-[[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]methyl]pentanoic acid?
3-[[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]methyl]pentanoic acid has a molecular weight of 268.36 g/mol, XLogP of 2.07, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]methyl]pentanoic acid is sourced from PubChem (CID 81069382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).