2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-ynylamino]acetic acid

C10H15NO4 — CID 10262630

IUPAC2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-ynylamino]acetic acid
SMILESC#CCN(CC(=O)O)C(=O)OC(C)(C)C
InChIInChI=1S/C10H15NO4/c1-5-6-11(7-8(12)13)9(14)15-10(2,3)4/h1H,6-7H2,2-4H3,(H,12,13)
InChIKeyUFIXSVLNUUDLSE-UHFFFAOYSA-N
MW213.23 g/mol
LogP0.94
Rot. Bonds3

About 2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-ynylamino]acetic acid

2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-ynylamino]acetic acid (PubChem CID 10262630) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-ynylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-ynylamino]acetic acid
PubChem CID10262630
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-ynylamino]acetic acid
SMILESC#CCN(CC(=O)O)C(=O)OC(C)(C)C
InChIInChI=1S/C10H15NO4/c1-5-6-11(7-8(12)13)9(14)15-10(2,3)4/h1H,6-7H2,2-4H3,(H,12,13)
InChIKeyUFIXSVLNUUDLSE-UHFFFAOYSA-N
XLogP0.94
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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2-{[(Tert-butoxy)carbonyl](2-methylpropyl)amino}acetic acid
CID 23033833
2-{[(Tert-butoxy)carbonyl](propan-2-yl)amino}acetic acid
CID 10465935
2-(((Tert-butoxy)carbonyl)(propyl)amino)acetic acid
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2-((Tert-butoxycarbonyl)(2,2,2-trifluoroethyl)amino)acetic acid
CID 54593256
2-{[(Tert-butoxy)carbonyl](2-methoxyethyl)amino}acetic acid
CID 54593434
2-{[(Tert-butoxy)carbonyl](2-methoxy-2-oxoethyl)amino}acetic acid
CID 87566391
4-{[(Tert-butoxy)carbonyl](methyl)amino}but-2-ynoicacid
CID 130118764
2-(((Tert-butoxy)carbonyl)(2-hydroxy-2-methylpropyl)amino)acetic acid
CID 155858872
2-[(2-Methylpropan-2-yl)oxycarbonyl-prop-2-ynylamino]propanoic acid
CID 72755855

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-ynylamino]acetic acid?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-ynylamino]acetic acid (CID 10262630) is 2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-ynylamino]acetic acid.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-ynylamino]acetic acid?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-ynylamino]acetic acid is C#CCN(CC(=O)O)C(=O)OC(C)(C)C.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-ynylamino]acetic acid?
The InChIKey is UFIXSVLNUUDLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-5-6-11(7-8(12)13)9(14)15-10(2,3)4/h1H,6-7H2,2-4H3,(H,12,13).
What are the key properties of 2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-ynylamino]acetic acid?
2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-ynylamino]acetic acid has a molecular weight of 213.23 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-ynylamino]acetic acid is sourced from PubChem (CID 10262630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).