3-(1-cyclopropylpropan-2-ylamino)-3-oxopropanoic acid

C9H15NO3 — CID 63994028

IUPAC3-(1-cyclopropylpropan-2-ylamino)-3-oxopropanoic acid
SMILESCC(CC1CC1)NC(=O)CC(=O)O
InChIInChI=1S/C9H15NO3/c1-6(4-7-2-3-7)10-8(11)5-9(12)13/h6-7H,2-5H2,1H3,(H,10,11)(H,12,13)
InChIKeyRSISMPIXUXBTRM-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.77
Rot. Bonds5

About 3-(1-cyclopropylpropan-2-ylamino)-3-oxopropanoic acid

3-(1-cyclopropylpropan-2-ylamino)-3-oxopropanoic acid (PubChem CID 63994028) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 3-(1-cyclopropylpropan-2-ylamino)-3-oxopropanoic acid.

Molecular Properties

Compound Name3-(1-cyclopropylpropan-2-ylamino)-3-oxopropanoic acid
PubChem CID63994028
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name3-(1-cyclopropylpropan-2-ylamino)-3-oxopropanoic acid
SMILESCC(CC1CC1)NC(=O)CC(=O)O
InChIInChI=1S/C9H15NO3/c1-6(4-7-2-3-7)10-8(11)5-9(12)13/h6-7H,2-5H2,1H3,(H,10,11)(H,12,13)
InChIKeyRSISMPIXUXBTRM-UHFFFAOYSA-N
XLogP0.77
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(1-cyclopropylpropan-2-ylcarbamoylamino)acetyl]amino]acetic acid
CID 63993771
N-(1-cyclopropylpropan-2-yl)-2-sulfanylpropanamide
CID 107030339
N-(1-cyclopropylpropan-2-yl)-2-hydroxy-2-methylpropanamide
CID 103430059
N-(1-cyclopropylpropan-2-yl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119784608
2-[(2-amino-2-oxoethyl)-(1-cyclopropylpropan-2-ylcarbamoyl)amino]acetic acid
CID 107438810
1-(1-cyclopropylpropan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 63996144
5-(1-cyclopropylpropan-2-ylcarbamoyl)oxolane-2-carboxylic acid
CID 102688559
(2S)-3-(1-cyclopropylpropan-2-ylcarbamoylamino)-2-hydroxypropanoic acid
CID 107840066
1-amino-N-(1-cyclopropylpropan-2-yl)cyclopropane-1-carboxamide
CID 65457255
(1S,6R)-6-(1-cyclopropylpropan-2-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 104962458
3-(6-methylheptan-2-ylamino)-3-oxopropanoic acid
CID 62229876
(2R)-2-amino-N-(1-cyclopropylpropan-2-yl)-3,3-dimethylbutanamide
CID 103929976

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopropylpropan-2-ylamino)-3-oxopropanoic acid?
The IUPAC name of 3-(1-cyclopropylpropan-2-ylamino)-3-oxopropanoic acid (CID 63994028) is 3-(1-cyclopropylpropan-2-ylamino)-3-oxopropanoic acid.
What is the SMILES notation for 3-(1-cyclopropylpropan-2-ylamino)-3-oxopropanoic acid?
The canonical SMILES for 3-(1-cyclopropylpropan-2-ylamino)-3-oxopropanoic acid is CC(CC1CC1)NC(=O)CC(=O)O.
What is the InChIKey of 3-(1-cyclopropylpropan-2-ylamino)-3-oxopropanoic acid?
The InChIKey is RSISMPIXUXBTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-6(4-7-2-3-7)10-8(11)5-9(12)13/h6-7H,2-5H2,1H3,(H,10,11)(H,12,13).
What are the key properties of 3-(1-cyclopropylpropan-2-ylamino)-3-oxopropanoic acid?
3-(1-cyclopropylpropan-2-ylamino)-3-oxopropanoic acid has a molecular weight of 185.22 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopropylpropan-2-ylamino)-3-oxopropanoic acid is sourced from PubChem (CID 63994028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).