3-amino-2-[[2-(hydroxymethyl)cyclopentyl]amino]propanoic acid

C9H18N2O3 — CID 106359984

IUPAC3-amino-2-[[2-(hydroxymethyl)cyclopentyl]amino]propanoic acid
SMILESNCC(NC1CCCC1CO)C(=O)O
InChIInChI=1S/C9H18N2O3/c10-4-8(9(13)14)11-7-3-1-2-6(7)5-12/h6-8,11-12H,1-5,10H2,(H,13,14)
InChIKeyMYGANWGKXVWKKL-UHFFFAOYSA-N
MW202.25 g/mol
LogP-0.85
Rot. Bonds5

About 3-amino-2-[[2-(hydroxymethyl)cyclopentyl]amino]propanoic acid

3-amino-2-[[2-(hydroxymethyl)cyclopentyl]amino]propanoic acid (PubChem CID 106359984) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 3-amino-2-[[2-(hydroxymethyl)cyclopentyl]amino]propanoic acid.

Molecular Properties

Compound Name3-amino-2-[[2-(hydroxymethyl)cyclopentyl]amino]propanoic acid
PubChem CID106359984
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name3-amino-2-[[2-(hydroxymethyl)cyclopentyl]amino]propanoic acid
SMILESNCC(NC1CCCC1CO)C(=O)O
InChIInChI=1S/C9H18N2O3/c10-4-8(9(13)14)11-7-3-1-2-6(7)5-12/h6-8,11-12H,1-5,10H2,(H,13,14)
InChIKeyMYGANWGKXVWKKL-UHFFFAOYSA-N
XLogP-0.85
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(hydroxymethyl)cyclopentyl]amino]hexanoic acid
CID 106362432
3-[[2-(hydroxymethyl)cyclopentyl]amino]-2-methylbutanoic acid
CID 106360781
ethyl 2-[[2-(hydroxymethyl)cyclohexyl]amino]butanoate
CID 104696264
[(1R,2S)-2-(hydroxymethyl)cyclopentyl]urea
CID 131092066
[2-(dicyclopropylmethylamino)cyclopentyl]methanol
CID 115723754
[2-[(1-amino-3-phenylbutan-2-yl)amino]cyclopentyl]methanol
CID 106359972
2-[[2-(hydroxymethyl)cyclohexyl]amino]-2-phenylacetic acid
CID 114178847
[(1R,2R)-2-(hydroxymethyl)cyclohexyl]carbamic acid
CID 141194189
[2-[[2-amino-1-(4-tert-butylcyclohexyl)ethyl]amino]cyclopentyl]methanol
CID 106360190
2-[[2-(hydroxymethyl)cyclopentyl]amino]-N-(2-methylpropyl)propanamide
CID 106360844
[2-[[2-(aminomethyl)cyclopentyl]amino]cyclohexyl]methanol
CID 106359831
2-[[2-(hydroxymethyl)cyclohexyl]amino]-N-propan-2-ylpropanamide
CID 106361170

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[[2-(hydroxymethyl)cyclopentyl]amino]propanoic acid?
The IUPAC name of 3-amino-2-[[2-(hydroxymethyl)cyclopentyl]amino]propanoic acid (CID 106359984) is 3-amino-2-[[2-(hydroxymethyl)cyclopentyl]amino]propanoic acid.
What is the SMILES notation for 3-amino-2-[[2-(hydroxymethyl)cyclopentyl]amino]propanoic acid?
The canonical SMILES for 3-amino-2-[[2-(hydroxymethyl)cyclopentyl]amino]propanoic acid is NCC(NC1CCCC1CO)C(=O)O.
What is the InChIKey of 3-amino-2-[[2-(hydroxymethyl)cyclopentyl]amino]propanoic acid?
The InChIKey is MYGANWGKXVWKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c10-4-8(9(13)14)11-7-3-1-2-6(7)5-12/h6-8,11-12H,1-5,10H2,(H,13,14).
What are the key properties of 3-amino-2-[[2-(hydroxymethyl)cyclopentyl]amino]propanoic acid?
3-amino-2-[[2-(hydroxymethyl)cyclopentyl]amino]propanoic acid has a molecular weight of 202.25 g/mol, XLogP of -0.85, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[[2-(hydroxymethyl)cyclopentyl]amino]propanoic acid is sourced from PubChem (CID 106359984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).