2-[(1-hydroxycyclopentyl)methylamino]propanoic acid

C9H17NO3 — CID 65108936

IUPAC2-[(1-hydroxycyclopentyl)methylamino]propanoic acid
SMILESCC(NCC1(O)CCCC1)C(=O)O
InChIInChI=1S/C9H17NO3/c1-7(8(11)12)10-6-9(13)4-2-3-5-9/h7,10,13H,2-6H2,1H3,(H,11,12)
InChIKeyDVNKGFWNHKHFKA-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.35
Rot. Bonds4

About 2-[(1-hydroxycyclopentyl)methylamino]propanoic acid

2-[(1-hydroxycyclopentyl)methylamino]propanoic acid (PubChem CID 65108936) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-[(1-hydroxycyclopentyl)methylamino]propanoic acid.

Molecular Properties

Compound Name2-[(1-hydroxycyclopentyl)methylamino]propanoic acid
PubChem CID65108936
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name2-[(1-hydroxycyclopentyl)methylamino]propanoic acid
SMILESCC(NCC1(O)CCCC1)C(=O)O
InChIInChI=1S/C9H17NO3/c1-7(8(11)12)10-6-9(13)4-2-3-5-9/h7,10,13H,2-6H2,1H3,(H,11,12)
InChIKeyDVNKGFWNHKHFKA-UHFFFAOYSA-N
XLogP0.35
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-hydroxy-4-methylcyclohexyl)methylamino]propanoic acid
CID 65116400
2-[(1-hydroxycyclopentyl)methylamino]-N-pentan-3-ylpropanamide
CID 65111296
2-[(1-hydroxycycloheptyl)methylamino]-N,N-dimethylpropanamide
CID 54950879
N-ethyl-2-[(1-hydroxycyclopentyl)methylamino]-N-methylpropanamide
CID 103108861
tert-butyl 2-[(1-hydroxycycloheptyl)methylamino]propanoate
CID 66338142
2-[(1-hydroxycyclopentyl)methylamino]-N-pentan-2-ylpropanamide
CID 65109113
2-[(1-hydroxycyclopentyl)methylamino]-N-pentylpropanamide
CID 65109318
2-[(1-hydroxycyclopentyl)methylamino]-N-(2-methoxyethyl)propanamide
CID 65109266
(2S)-2-[(1-hydroxycyclobutyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 138016410
2-[(1-hydroxycycloheptyl)methylamino]-N-(2-methoxyethyl)propanamide
CID 65123309
3-[(1-hydroxycycloheptyl)methylamino]-2-methylpropanoic acid
CID 65122525
1-[(1-hydroxypropan-2-ylamino)methyl]cyclobutan-1-ol
CID 130502696

Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxycyclopentyl)methylamino]propanoic acid?
The IUPAC name of 2-[(1-hydroxycyclopentyl)methylamino]propanoic acid (CID 65108936) is 2-[(1-hydroxycyclopentyl)methylamino]propanoic acid.
What is the SMILES notation for 2-[(1-hydroxycyclopentyl)methylamino]propanoic acid?
The canonical SMILES for 2-[(1-hydroxycyclopentyl)methylamino]propanoic acid is CC(NCC1(O)CCCC1)C(=O)O.
What is the InChIKey of 2-[(1-hydroxycyclopentyl)methylamino]propanoic acid?
The InChIKey is DVNKGFWNHKHFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-7(8(11)12)10-6-9(13)4-2-3-5-9/h7,10,13H,2-6H2,1H3,(H,11,12).
What are the key properties of 2-[(1-hydroxycyclopentyl)methylamino]propanoic acid?
2-[(1-hydroxycyclopentyl)methylamino]propanoic acid has a molecular weight of 187.24 g/mol, XLogP of 0.35, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxycyclopentyl)methylamino]propanoic acid is sourced from PubChem (CID 65108936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).