4-[cyclopropylmethyl(methyl)amino]pentanoic acid

C10H19NO2 — CID 62213989

IUPAC4-[cyclopropylmethyl(methyl)amino]pentanoic acid
SMILESCC(CCC(=O)O)N(C)CC1CC1
InChIInChI=1S/C10H19NO2/c1-8(3-6-10(12)13)11(2)7-9-4-5-9/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyLDTNMRAELAQZFQ-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.58
Rot. Bonds6

About 4-[cyclopropylmethyl(methyl)amino]pentanoic acid

4-[cyclopropylmethyl(methyl)amino]pentanoic acid (PubChem CID 62213989) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 4-[cyclopropylmethyl(methyl)amino]pentanoic acid.

Molecular Properties

Compound Name4-[cyclopropylmethyl(methyl)amino]pentanoic acid
PubChem CID62213989
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name4-[cyclopropylmethyl(methyl)amino]pentanoic acid
SMILESCC(CCC(=O)O)N(C)CC1CC1
InChIInChI=1S/C10H19NO2/c1-8(3-6-10(12)13)11(2)7-9-4-5-9/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyLDTNMRAELAQZFQ-UHFFFAOYSA-N
XLogP1.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[ethyl(methyl)amino]pentanoic acid
CID 62214342
4-[cyclohexylmethyl(methyl)amino]pentanehydrazide
CID 63577696
4-[2-hydroxypropyl(methyl)amino]pentanoic acid
CID 62332604
(4R)-4-(dimethylamino)pentanoic acid
CID 92669584
4-(dimethylamino)pentanoic acid
CID 18442969
3-[cyclopropylmethyl(methyl)amino]pentanoic acid
CID 63067785
4-[[2-(dimethylamino)-2-oxoethyl]-methylamino]pentanoic acid
CID 62215247
4-amino-5-[cyclopropylmethyl(propan-2-yl)amino]-5-oxopentanoic acid
CID 64890891
5-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-5-oxopentanoic acid
CID 60950485
4-[methyl(thiolan-3-yl)amino]pentanoic acid
CID 62215066
(2R)-2-[cyclobutylmethyl(methyl)amino]propan-1-ol
CID 131200890
4-[methyl(pentan-3-yl)amino]pentanoic acid
CID 62213096

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropylmethyl(methyl)amino]pentanoic acid?
The IUPAC name of 4-[cyclopropylmethyl(methyl)amino]pentanoic acid (CID 62213989) is 4-[cyclopropylmethyl(methyl)amino]pentanoic acid.
What is the SMILES notation for 4-[cyclopropylmethyl(methyl)amino]pentanoic acid?
The canonical SMILES for 4-[cyclopropylmethyl(methyl)amino]pentanoic acid is CC(CCC(=O)O)N(C)CC1CC1.
What is the InChIKey of 4-[cyclopropylmethyl(methyl)amino]pentanoic acid?
The InChIKey is LDTNMRAELAQZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-8(3-6-10(12)13)11(2)7-9-4-5-9/h8-9H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 4-[cyclopropylmethyl(methyl)amino]pentanoic acid?
4-[cyclopropylmethyl(methyl)amino]pentanoic acid has a molecular weight of 185.27 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropylmethyl(methyl)amino]pentanoic acid is sourced from PubChem (CID 62213989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).