2-[methyl(propoxy)amino]acetic acid

C6H13NO3 — CID 141325136

IUPAC2-[methyl(propoxy)amino]acetic acid
SMILESCCCON(C)CC(=O)O
InChIInChI=1S/C6H13NO3/c1-3-4-10-7(2)5-6(8)9/h3-5H2,1-2H3,(H,8,9)
InChIKeyMVLDRJCCQHNIRM-UHFFFAOYSA-N
MW147.17 g/mol
LogP0.34
Rot. Bonds5

About 2-[methyl(propoxy)amino]acetic acid

2-[methyl(propoxy)amino]acetic acid (PubChem CID 141325136) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is 2-[methyl(propoxy)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl(propoxy)amino]acetic acid
PubChem CID141325136
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name2-[methyl(propoxy)amino]acetic acid
SMILESCCCON(C)CC(=O)O
InChIInChI=1S/C6H13NO3/c1-3-4-10-7(2)5-6(8)9/h3-5H2,1-2H3,(H,8,9)
InChIKeyMVLDRJCCQHNIRM-UHFFFAOYSA-N
XLogP0.34
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-amino-3-methylbutoxy)-methylamino]acetic acid
CID 146581912
acetic acid;1-(dipropoxyamino)oxypropane
CID 173174046
1,3-dimethyl-1-propoxyurea
CID 121226994
ethane;2-[methyl(propyl)amino]acetic acid
CID 153373363
2-[methyl(propyl)amino]acetic acid;hydrochloride
CID 50988218
N-methyl-N-[[methyl(propanoyl)amino]-propoxysilyl]propanamide
CID 173394190
azane;2-(dimethylamino)acetic acid
CID 172828475
2-[bis(carboxymethyl)amino]acetic acid;N,N-dimethylmethanamine
CID 88838366
2-[carboxymethyl(ethylsulfonyl)amino]acetic acid
CID 23524492
2-[4-methoxybutan-2-yl(methyl)amino]acetic acid
CID 65056386
2-[methyl-(4-propoxybenzoyl)amino]acetic acid
CID 43239761
ethane;2-[methyl(propanoyl)amino]acetic acid
CID 170570723

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(propoxy)amino]acetic acid?
The IUPAC name of 2-[methyl(propoxy)amino]acetic acid (CID 141325136) is 2-[methyl(propoxy)amino]acetic acid.
What is the SMILES notation for 2-[methyl(propoxy)amino]acetic acid?
The canonical SMILES for 2-[methyl(propoxy)amino]acetic acid is CCCON(C)CC(=O)O.
What is the InChIKey of 2-[methyl(propoxy)amino]acetic acid?
The InChIKey is MVLDRJCCQHNIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3/c1-3-4-10-7(2)5-6(8)9/h3-5H2,1-2H3,(H,8,9).
What are the key properties of 2-[methyl(propoxy)amino]acetic acid?
2-[methyl(propoxy)amino]acetic acid has a molecular weight of 147.17 g/mol, XLogP of 0.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(propoxy)amino]acetic acid is sourced from PubChem (CID 141325136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).