2-[(4-amino-3-methoxybutanoyl)-prop-2-ynylamino]acetic acid

C10H16N2O4 — CID 103156185

IUPAC2-[(4-amino-3-methoxybutanoyl)-prop-2-ynylamino]acetic acid
SMILESC#CCN(CC(=O)O)C(=O)CC(CN)OC
InChIInChI=1S/C10H16N2O4/c1-3-4-12(7-10(14)15)9(13)5-8(6-11)16-2/h1,8H,4-7,11H2,2H3,(H,14,15)
InChIKeyRYRMQZMGYLZXIS-UHFFFAOYSA-N
MW228.25 g/mol
LogP-1.10
Rot. Bonds7

About 2-[(4-amino-3-methoxybutanoyl)-prop-2-ynylamino]acetic acid

2-[(4-amino-3-methoxybutanoyl)-prop-2-ynylamino]acetic acid (PubChem CID 103156185) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-[(4-amino-3-methoxybutanoyl)-prop-2-ynylamino]acetic acid.

Molecular Properties

Compound Name2-[(4-amino-3-methoxybutanoyl)-prop-2-ynylamino]acetic acid
PubChem CID103156185
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name2-[(4-amino-3-methoxybutanoyl)-prop-2-ynylamino]acetic acid
SMILESC#CCN(CC(=O)O)C(=O)CC(CN)OC
InChIInChI=1S/C10H16N2O4/c1-3-4-12(7-10(14)15)9(13)5-8(6-11)16-2/h1,8H,4-7,11H2,2H3,(H,14,15)
InChIKeyRYRMQZMGYLZXIS-UHFFFAOYSA-N
XLogP-1.10
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-1.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(cyclopropylmethyl)-3-methoxy-N-prop-2-ynylbutanamide
CID 103156476
2-[(2-aminoacetyl)-prop-2-ynylamino]acetic acid
CID 79275320
2-[propanoyl(prop-2-ynyl)amino]acetic acid
CID 79280271
2-[(4-amino-3-ethoxybutanoyl)-(carboxymethyl)amino]acetic acid
CID 114227443
2-[(2-propan-2-ylsulfanylacetyl)-prop-2-ynylamino]acetic acid
CID 79273312
4-amino-N-(2-amino-2-oxoethyl)-N-ethyl-3-methoxybutanamide
CID 103156901
2-[(6-amino-4-ethylhexanoyl)-prop-2-ynylamino]acetic acid
CID 79272924
2-[2-(aminomethyl)pentanoyl-prop-2-ynylamino]acetic acid
CID 79274102
4-amino-N,N-dibutyl-3-methoxybutanamide
CID 103154284
4-amino-3-methoxy-N,N-bis(2-methoxyethyl)butanamide;hydrochloride
CID 120586450
2-[[2-[acetyl(methyl)amino]acetyl]-prop-2-ynylamino]acetic acid
CID 79278098
methyl 2-[(4-amino-3-methoxybutanoyl)-propylamino]acetate
CID 103155156

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-3-methoxybutanoyl)-prop-2-ynylamino]acetic acid?
The IUPAC name of 2-[(4-amino-3-methoxybutanoyl)-prop-2-ynylamino]acetic acid (CID 103156185) is 2-[(4-amino-3-methoxybutanoyl)-prop-2-ynylamino]acetic acid.
What is the SMILES notation for 2-[(4-amino-3-methoxybutanoyl)-prop-2-ynylamino]acetic acid?
The canonical SMILES for 2-[(4-amino-3-methoxybutanoyl)-prop-2-ynylamino]acetic acid is C#CCN(CC(=O)O)C(=O)CC(CN)OC.
What is the InChIKey of 2-[(4-amino-3-methoxybutanoyl)-prop-2-ynylamino]acetic acid?
The InChIKey is RYRMQZMGYLZXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-3-4-12(7-10(14)15)9(13)5-8(6-11)16-2/h1,8H,4-7,11H2,2H3,(H,14,15).
What are the key properties of 2-[(4-amino-3-methoxybutanoyl)-prop-2-ynylamino]acetic acid?
2-[(4-amino-3-methoxybutanoyl)-prop-2-ynylamino]acetic acid has a molecular weight of 228.25 g/mol, XLogP of -1.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-3-methoxybutanoyl)-prop-2-ynylamino]acetic acid is sourced from PubChem (CID 103156185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).