2-[(3-methylcyclopentyl)methylcarbamoylamino]oxyacetic acid

C10H18N2O4 — CID 107414533

IUPAC2-[(3-methylcyclopentyl)methylcarbamoylamino]oxyacetic acid
SMILESCC1CCC(CNC(=O)NOCC(=O)O)C1
InChIInChI=1S/C10H18N2O4/c1-7-2-3-8(4-7)5-11-10(15)12-16-6-9(13)14/h7-8H,2-6H2,1H3,(H,13,14)(H2,11,12,15)
InChIKeyQMUSJONTSZRTIE-UHFFFAOYSA-N
MW230.26 g/mol
LogP0.74
Rot. Bonds5

About 2-[(3-methylcyclopentyl)methylcarbamoylamino]oxyacetic acid

2-[(3-methylcyclopentyl)methylcarbamoylamino]oxyacetic acid (PubChem CID 107414533) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-[(3-methylcyclopentyl)methylcarbamoylamino]oxyacetic acid.

Molecular Properties

Compound Name2-[(3-methylcyclopentyl)methylcarbamoylamino]oxyacetic acid
PubChem CID107414533
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name2-[(3-methylcyclopentyl)methylcarbamoylamino]oxyacetic acid
SMILESCC1CCC(CNC(=O)NOCC(=O)O)C1
InChIInChI=1S/C10H18N2O4/c1-7-2-3-8(4-7)5-11-10(15)12-16-6-9(13)14/h7-8H,2-6H2,1H3,(H,13,14)(H2,11,12,15)
InChIKeyQMUSJONTSZRTIE-UHFFFAOYSA-N
XLogP0.74
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3-methylcyclopentyl)methylurea
CID 20542807
(2R)-2-[(3-methylcyclopentyl)methylcarbamoylamino]propanoic acid
CID 107414492
2-bromo-N-[(3-methylcyclopentyl)methyl]acetamide
CID 107412345
propan-2-yl N-[(3-methylcyclopentyl)methyl]carbamate
CID 107412401
2-[(3-methylcyclopentyl)methylamino]acetic acid
CID 107412592
cis-(1R,3S)-3-[(3-methylcyclopentyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 114173106
2-methoxy-3-[(3-methylcyclopentyl)methylcarbamoylamino]propanoic acid
CID 106110630
2-methyl-3-[(3-methylcyclopentyl)methylcarbamoylamino]butanoic acid
CID 107414476
2-amino-2-methyl-N-[(3-methylcyclopentyl)methyl]propanamide
CID 107413148
1-[(3-methylcyclopentyl)methylcarbamoylamino]cyclobutane-1-carboxylic acid
CID 107414521
phenyl N-[(3-methylcyclopentyl)methyl]carbamate
CID 107415485
N-[(3-methylcyclopentyl)methyl]butanamide
CID 107415486

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylcyclopentyl)methylcarbamoylamino]oxyacetic acid?
The IUPAC name of 2-[(3-methylcyclopentyl)methylcarbamoylamino]oxyacetic acid (CID 107414533) is 2-[(3-methylcyclopentyl)methylcarbamoylamino]oxyacetic acid.
What is the SMILES notation for 2-[(3-methylcyclopentyl)methylcarbamoylamino]oxyacetic acid?
The canonical SMILES for 2-[(3-methylcyclopentyl)methylcarbamoylamino]oxyacetic acid is CC1CCC(CNC(=O)NOCC(=O)O)C1.
What is the InChIKey of 2-[(3-methylcyclopentyl)methylcarbamoylamino]oxyacetic acid?
The InChIKey is QMUSJONTSZRTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-7-2-3-8(4-7)5-11-10(15)12-16-6-9(13)14/h7-8H,2-6H2,1H3,(H,13,14)(H2,11,12,15).
What are the key properties of 2-[(3-methylcyclopentyl)methylcarbamoylamino]oxyacetic acid?
2-[(3-methylcyclopentyl)methylcarbamoylamino]oxyacetic acid has a molecular weight of 230.26 g/mol, XLogP of 0.74, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylcyclopentyl)methylcarbamoylamino]oxyacetic acid is sourced from PubChem (CID 107414533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).