2-[cyclopropylmethyl-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]acetic acid

C13H22N2O3 — CID 43656828

IUPAC2-[cyclopropylmethyl-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]acetic acid
SMILESCC(C(=O)N1CCCC1)N(CC(=O)O)CC1CC1
InChIInChI=1S/C13H22N2O3/c1-10(13(18)14-6-2-3-7-14)15(9-12(16)17)8-11-4-5-11/h10-11H,2-9H2,1H3,(H,16,17)
InChIKeyGZGRMAYZLLTWSL-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.79
Rot. Bonds6

About 2-[cyclopropylmethyl-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]acetic acid

2-[cyclopropylmethyl-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]acetic acid (PubChem CID 43656828) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]acetic acid
PubChem CID43656828
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name2-[cyclopropylmethyl-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]acetic acid
SMILESCC(C(=O)N1CCCC1)N(CC(=O)O)CC1CC1
InChIInChI=1S/C13H22N2O3/c1-10(13(18)14-6-2-3-7-14)15(9-12(16)17)8-11-4-5-11/h10-11H,2-9H2,1H3,(H,16,17)
InChIKeyGZGRMAYZLLTWSL-UHFFFAOYSA-N
XLogP0.79
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]-prop-2-enylamino]acetic acid
CID 79276444
2-[piperidin-4-ylmethyl(propyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 79714399
2-[cyclopentyl-(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]acetic acid
CID 60833964
2-[cyclopropylmethyl(piperidine-1-carbonyl)amino]acetic acid
CID 43655845
2-[(1-acetylpiperidin-4-yl)methyl-propan-2-ylamino]acetic acid
CID 66565406
2-[cyclopropylmethyl-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]acetic acid
CID 43656844
2-[cyclopropylmethyl-[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 43656825
2-[cyclopropylmethyl(propyl)amino]-1-piperazin-1-ylpropan-1-one
CID 61441341
2-[methyl(piperidin-4-ylmethyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 79716618
3-[[1-(azepan-1-yl)-1-oxopropan-2-yl]-ethylamino]propanoic acid
CID 61010652
2-[cyclopropylmethyl-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]amino]acetic acid
CID 43656845
2-[bis(2-chloroethyl)amino]-1-piperidin-1-ylpropan-1-one
CID 3064207

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]acetic acid (CID 43656828) is 2-[cyclopropylmethyl-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]acetic acid is CC(C(=O)N1CCCC1)N(CC(=O)O)CC1CC1.
What is the InChIKey of 2-[cyclopropylmethyl-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]acetic acid?
The InChIKey is GZGRMAYZLLTWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-10(13(18)14-6-2-3-7-14)15(9-12(16)17)8-11-4-5-11/h10-11H,2-9H2,1H3,(H,16,17).
What are the key properties of 2-[cyclopropylmethyl-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]acetic acid?
2-[cyclopropylmethyl-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]acetic acid has a molecular weight of 254.33 g/mol, XLogP of 0.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]acetic acid is sourced from PubChem (CID 43656828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).