4-amino-5-[(3-hydroxycyclopentyl)methylamino]-5-oxopentanoic acid

C11H20N2O4 — CID 106134041

IUPAC4-amino-5-[(3-hydroxycyclopentyl)methylamino]-5-oxopentanoic acid
SMILESNC(CCC(=O)O)C(=O)NCC1CCC(O)C1
InChIInChI=1S/C11H20N2O4/c12-9(3-4-10(15)16)11(17)13-6-7-1-2-8(14)5-7/h7-9,14H,1-6,12H2,(H,13,17)(H,15,16)
InChIKeyRTSKNKXBHCDWGQ-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.54
Rot. Bonds6

About 4-amino-5-[(3-hydroxycyclopentyl)methylamino]-5-oxopentanoic acid

4-amino-5-[(3-hydroxycyclopentyl)methylamino]-5-oxopentanoic acid (PubChem CID 106134041) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-amino-5-[(3-hydroxycyclopentyl)methylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name4-amino-5-[(3-hydroxycyclopentyl)methylamino]-5-oxopentanoic acid
PubChem CID106134041
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name4-amino-5-[(3-hydroxycyclopentyl)methylamino]-5-oxopentanoic acid
SMILESNC(CCC(=O)O)C(=O)NCC1CCC(O)C1
InChIInChI=1S/C11H20N2O4/c12-9(3-4-10(15)16)11(17)13-6-7-1-2-8(14)5-7/h7-9,14H,1-6,12H2,(H,13,17)(H,15,16)
InChIKeyRTSKNKXBHCDWGQ-UHFFFAOYSA-N
XLogP-0.54
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[(3-hydroxycyclopentyl)methyl]hexanamide
CID 106134012
4-amino-5-[(4-methylcyclohexyl)methylamino]-5-oxopentanoic acid
CID 64889744
2-amino-N-[(3-hydroxycyclopentyl)methyl]propanamide
CID 106134063
4-amino-5-(cyclohex-3-en-1-ylmethylamino)-5-oxopentanoic acid
CID 64888191
2-amino-N-[(3-hydroxycyclohexyl)methyl]hexanamide
CID 103950314
2-amino-N-[(3-hydroxycyclohexyl)methyl]butanamide
CID 103950304
4-amino-5-(2-bicyclo[2.2.1]heptanylmethylamino)-5-oxopentanoic acid
CID 64888968
2-amino-N-[(4-hydroxycyclohexyl)methyl]-4-phenylbutanamide
CID 106135501
N-[(3-hydroxycyclopentyl)methyl]-2-sulfanylpropanamide
CID 106137756
2-ethyl-N-[(3-hydroxycyclopentyl)methyl]butanamide
CID 103279737
N-[(3-hydroxycyclopentyl)methyl]-2-methoxypropanamide
CID 103279856
4-amino-5-(2-cyclopentylethylamino)-5-oxopentanoic acid
CID 64887954

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[(3-hydroxycyclopentyl)methylamino]-5-oxopentanoic acid?
The IUPAC name of 4-amino-5-[(3-hydroxycyclopentyl)methylamino]-5-oxopentanoic acid (CID 106134041) is 4-amino-5-[(3-hydroxycyclopentyl)methylamino]-5-oxopentanoic acid.
What is the SMILES notation for 4-amino-5-[(3-hydroxycyclopentyl)methylamino]-5-oxopentanoic acid?
The canonical SMILES for 4-amino-5-[(3-hydroxycyclopentyl)methylamino]-5-oxopentanoic acid is NC(CCC(=O)O)C(=O)NCC1CCC(O)C1.
What is the InChIKey of 4-amino-5-[(3-hydroxycyclopentyl)methylamino]-5-oxopentanoic acid?
The InChIKey is RTSKNKXBHCDWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c12-9(3-4-10(15)16)11(17)13-6-7-1-2-8(14)5-7/h7-9,14H,1-6,12H2,(H,13,17)(H,15,16).
What are the key properties of 4-amino-5-[(3-hydroxycyclopentyl)methylamino]-5-oxopentanoic acid?
4-amino-5-[(3-hydroxycyclopentyl)methylamino]-5-oxopentanoic acid has a molecular weight of 244.29 g/mol, XLogP of -0.54, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[(3-hydroxycyclopentyl)methylamino]-5-oxopentanoic acid is sourced from PubChem (CID 106134041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).