(2S)-3-(1-cyclopropylpropan-2-ylcarbamoylamino)-2-hydroxypropanoic acid

C10H18N2O4 — CID 107840066

IUPAC(2S)-3-(1-cyclopropylpropan-2-ylcarbamoylamino)-2-hydroxypropanoic acid
SMILESCC(CC1CC1)NC(=O)NC[C@H](O)C(=O)O
InChIInChI=1S/C10H18N2O4/c1-6(4-7-2-3-7)12-10(16)11-5-8(13)9(14)15/h6-8,13H,2-5H2,1H3,(H,14,15)(H2,11,12,16)/t6?,8-/m0/s1
InChIKeyIDEKXSQEJOXMGG-XDKWHASVSA-N
MW230.26 g/mol
LogP-0.08
Rot. Bonds6

About (2S)-3-(1-cyclopropylpropan-2-ylcarbamoylamino)-2-hydroxypropanoic acid

(2S)-3-(1-cyclopropylpropan-2-ylcarbamoylamino)-2-hydroxypropanoic acid (PubChem CID 107840066) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is (2S)-3-(1-cyclopropylpropan-2-ylcarbamoylamino)-2-hydroxypropanoic acid.

Molecular Properties

Compound Name(2S)-3-(1-cyclopropylpropan-2-ylcarbamoylamino)-2-hydroxypropanoic acid
PubChem CID107840066
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name(2S)-3-(1-cyclopropylpropan-2-ylcarbamoylamino)-2-hydroxypropanoic acid
SMILESCC(CC1CC1)NC(=O)NC[C@H](O)C(=O)O
InChIInChI=1S/C10H18N2O4/c1-6(4-7-2-3-7)12-10(16)11-5-8(13)9(14)15/h6-8,13H,2-5H2,1H3,(H,14,15)(H2,11,12,16)/t6?,8-/m0/s1
InChIKeyIDEKXSQEJOXMGG-XDKWHASVSA-N
XLogP-0.08
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

3-(butan-2-ylcarbamoylamino)-2-hydroxypropanoic acid
CID 66166107
3-(1-cyclopentylethylcarbamoylamino)-2-hydroxypropanoic acid
CID 66166167
2-[[2-(1-cyclopropylpropan-2-ylcarbamoylamino)acetyl]amino]acetic acid
CID 63993771
(2S)-2-hydroxy-3-(4-methylhexan-2-ylcarbamoylamino)propanoic acid
CID 107840287
3-(1-cyclopropylpropan-2-ylamino)-3-oxopropanoic acid
CID 63994028
3-(3-ethylpentan-2-ylcarbamoylamino)-2-hydroxypropanoic acid
CID 66166964
1-[(1-cyclopropylpropan-2-ylcarbamoylamino)methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115443063
4-[(1-cyclopropylpropan-2-ylcarbamoylamino)methyl]benzoic acid
CID 63996546
2-(1-cyclopropylpropan-2-ylcarbamoylamino)-4-methylsulfonylbutanoic acid
CID 63994565
(2S)-2-(1-cyclopropylpropan-2-ylcarbamoylamino)-5-methoxy-5-oxopentanoic acid
CID 107827918
3-cyclopropyl-2-[(3-methoxy-2-methylpropyl)carbamoylamino]propanoic acid
CID 112735106
1-(1-cyclopropylpropan-2-yl)-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea
CID 129006442

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(1-cyclopropylpropan-2-ylcarbamoylamino)-2-hydroxypropanoic acid?
The IUPAC name of (2S)-3-(1-cyclopropylpropan-2-ylcarbamoylamino)-2-hydroxypropanoic acid (CID 107840066) is (2S)-3-(1-cyclopropylpropan-2-ylcarbamoylamino)-2-hydroxypropanoic acid.
What is the SMILES notation for (2S)-3-(1-cyclopropylpropan-2-ylcarbamoylamino)-2-hydroxypropanoic acid?
The canonical SMILES for (2S)-3-(1-cyclopropylpropan-2-ylcarbamoylamino)-2-hydroxypropanoic acid is CC(CC1CC1)NC(=O)NC[C@H](O)C(=O)O.
What is the InChIKey of (2S)-3-(1-cyclopropylpropan-2-ylcarbamoylamino)-2-hydroxypropanoic acid?
The InChIKey is IDEKXSQEJOXMGG-XDKWHASVSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-6(4-7-2-3-7)12-10(16)11-5-8(13)9(14)15/h6-8,13H,2-5H2,1H3,(H,14,15)(H2,11,12,16)/t6?,8-/m0/s1.
What are the key properties of (2S)-3-(1-cyclopropylpropan-2-ylcarbamoylamino)-2-hydroxypropanoic acid?
(2S)-3-(1-cyclopropylpropan-2-ylcarbamoylamino)-2-hydroxypropanoic acid has a molecular weight of 230.26 g/mol, XLogP of -0.08, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(1-cyclopropylpropan-2-ylcarbamoylamino)-2-hydroxypropanoic acid is sourced from PubChem (CID 107840066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).