2-[[1-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperidin-3-yl]methylamino]acetic acid

C14H25N3O3 — CID 106813810

IUPAC2-[[1-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperidin-3-yl]methylamino]acetic acid
SMILESCC(C(=O)NC1CC1)N1CCCC(CNCC(=O)O)C1
InChIInChI=1S/C14H25N3O3/c1-10(14(20)16-12-4-5-12)17-6-2-3-11(9-17)7-15-8-13(18)19/h10-12,15H,2-9H2,1H3,(H,16,20)(H,18,19)
InChIKeyQLNFIAYRWKOOJM-UHFFFAOYSA-N
MW283.37 g/mol
LogP0.04
Rot. Bonds7

About 2-[[1-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperidin-3-yl]methylamino]acetic acid

2-[[1-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperidin-3-yl]methylamino]acetic acid (PubChem CID 106813810) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-[[1-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperidin-3-yl]methylamino]acetic acid.

Molecular Properties

Compound Name2-[[1-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperidin-3-yl]methylamino]acetic acid
PubChem CID106813810
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name2-[[1-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperidin-3-yl]methylamino]acetic acid
SMILESCC(C(=O)NC1CC1)N1CCCC(CNCC(=O)O)C1
InChIInChI=1S/C14H25N3O3/c1-10(14(20)16-12-4-5-12)17-6-2-3-11(9-17)7-15-8-13(18)19/h10-12,15H,2-9H2,1H3,(H,16,20)(H,18,19)
InChIKeyQLNFIAYRWKOOJM-UHFFFAOYSA-N
XLogP0.04
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[(carboxymethylamino)methyl]piperidin-1-yl]propanoic acid
CID 106813990
N-cyclopropyl-2-[3-(methylaminomethyl)piperidin-1-yl]propanamide
CID 61204430
N-cyclopentyl-2-[3-(ethylaminomethyl)piperidin-1-yl]propanamide
CID 63849664
2-[3-(2-aminoethyl)piperidin-1-yl]-N-cyclopentylpropanamide
CID 63764074
N-cyclopentyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]propanamide;hydrochloride
CID 119922095
N-tert-butyl-2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]propanamide
CID 63847259
2-[3-(ethylaminomethyl)piperidin-1-yl]-N-propylpropanamide
CID 63849842
2-(3-aminoazetidin-1-yl)-N-cyclopropylpropanamide
CID 63761129
N-cyclohexyl-2-[3-(phenoxymethyl)piperidin-1-yl]propanamide
CID 86972360
2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-N-(ethylcarbamoyl)propanamide
CID 63848300
N-tert-butyl-2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propanamide
CID 63241398
2-[[1-(3,5-dimethylcyclohexyl)piperidin-3-yl]methylamino]acetic acid
CID 106813828

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperidin-3-yl]methylamino]acetic acid?
The IUPAC name of 2-[[1-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperidin-3-yl]methylamino]acetic acid (CID 106813810) is 2-[[1-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperidin-3-yl]methylamino]acetic acid.
What is the SMILES notation for 2-[[1-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperidin-3-yl]methylamino]acetic acid?
The canonical SMILES for 2-[[1-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperidin-3-yl]methylamino]acetic acid is CC(C(=O)NC1CC1)N1CCCC(CNCC(=O)O)C1.
What is the InChIKey of 2-[[1-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperidin-3-yl]methylamino]acetic acid?
The InChIKey is QLNFIAYRWKOOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-10(14(20)16-12-4-5-12)17-6-2-3-11(9-17)7-15-8-13(18)19/h10-12,15H,2-9H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 2-[[1-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperidin-3-yl]methylamino]acetic acid?
2-[[1-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperidin-3-yl]methylamino]acetic acid has a molecular weight of 283.37 g/mol, XLogP of 0.04, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperidin-3-yl]methylamino]acetic acid is sourced from PubChem (CID 106813810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).