(2R)-2-[(2,2-dimethylcyclopropyl)carbamoylamino]-3-hydroxypropanoic acid

C9H16N2O4 — CID 80755976

IUPAC(2R)-2-[(2,2-dimethylcyclopropyl)carbamoylamino]-3-hydroxypropanoic acid
SMILESCC1(C)CC1NC(=O)N[C@H](CO)C(=O)O
InChIInChI=1S/C9H16N2O4/c1-9(2)3-6(9)11-8(15)10-5(4-12)7(13)14/h5-6,12H,3-4H2,1-2H3,(H,13,14)(H2,10,11,15)/t5-,6?/m1/s1
InChIKeyUJQWJTMXQBMXBK-LWOQYNTDSA-N
MW216.24 g/mol
LogP-0.47
Rot. Bonds4

About (2R)-2-[(2,2-dimethylcyclopropyl)carbamoylamino]-3-hydroxypropanoic acid

(2R)-2-[(2,2-dimethylcyclopropyl)carbamoylamino]-3-hydroxypropanoic acid (PubChem CID 80755976) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is (2R)-2-[(2,2-dimethylcyclopropyl)carbamoylamino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2,2-dimethylcyclopropyl)carbamoylamino]-3-hydroxypropanoic acid
PubChem CID80755976
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Name(2R)-2-[(2,2-dimethylcyclopropyl)carbamoylamino]-3-hydroxypropanoic acid
SMILESCC1(C)CC1NC(=O)N[C@H](CO)C(=O)O
InChIInChI=1S/C9H16N2O4/c1-9(2)3-6(9)11-8(15)10-5(4-12)7(13)14/h5-6,12H,3-4H2,1-2H3,(H,13,14)(H2,10,11,15)/t5-,6?/m1/s1
InChIKeyUJQWJTMXQBMXBK-LWOQYNTDSA-N
XLogP-0.47
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-0.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-2-[(3,3,5,5-tetramethylcyclohexyl)carbamoylamino]propanoic acid
CID 103968112
2-cyclopropyl-2-[(2,2-dimethylcyclopropyl)carbamoylamino]acetic acid
CID 62711233
(2S)-2-[(2,2-dimethylcyclopropyl)carbamoylamino]-4-phenylbutanoic acid
CID 104983619
(2S)-2-[(2,2-dimethyloxan-4-yl)carbamoylamino]-3-hydroxypropanoic acid
CID 83028517
(2S)-3-hydroxy-2-[(3-methylcyclobutyl)carbamoylamino]propanoic acid
CID 104861581
3-cyclopropyl-3-[(2,2-dimethylcyclopropyl)carbamoylamino]propanoic acid
CID 82003269
1-(2,2-dimethylcyclopropyl)-3-ethylurea
CID 115590496
3-hydroxy-2-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]propanoic acid
CID 79350592
(2S)-3-hydroxy-2-[(3-methylcyclopentyl)carbamoylamino]propanoic acid
CID 104937677
(2S)-2-[(4-ethylcyclohexyl)carbamoylamino]-3-hydroxypropanoic acid
CID 54955301
(2R)-3-hydroxy-2-[(1-methylcyclohexyl)carbamoylamino]propanoic acid
CID 80757359
(2R)-3-hydroxy-2-(oxan-4-ylcarbamoylamino)propanoic acid
CID 80756963

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2,2-dimethylcyclopropyl)carbamoylamino]-3-hydroxypropanoic acid?
The IUPAC name of (2R)-2-[(2,2-dimethylcyclopropyl)carbamoylamino]-3-hydroxypropanoic acid (CID 80755976) is (2R)-2-[(2,2-dimethylcyclopropyl)carbamoylamino]-3-hydroxypropanoic acid.
What is the SMILES notation for (2R)-2-[(2,2-dimethylcyclopropyl)carbamoylamino]-3-hydroxypropanoic acid?
The canonical SMILES for (2R)-2-[(2,2-dimethylcyclopropyl)carbamoylamino]-3-hydroxypropanoic acid is CC1(C)CC1NC(=O)N[C@H](CO)C(=O)O.
What is the InChIKey of (2R)-2-[(2,2-dimethylcyclopropyl)carbamoylamino]-3-hydroxypropanoic acid?
The InChIKey is UJQWJTMXQBMXBK-LWOQYNTDSA-N. The full InChI is InChI=1S/C9H16N2O4/c1-9(2)3-6(9)11-8(15)10-5(4-12)7(13)14/h5-6,12H,3-4H2,1-2H3,(H,13,14)(H2,10,11,15)/t5-,6?/m1/s1.
What are the key properties of (2R)-2-[(2,2-dimethylcyclopropyl)carbamoylamino]-3-hydroxypropanoic acid?
(2R)-2-[(2,2-dimethylcyclopropyl)carbamoylamino]-3-hydroxypropanoic acid has a molecular weight of 216.24 g/mol, XLogP of -0.47, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2,2-dimethylcyclopropyl)carbamoylamino]-3-hydroxypropanoic acid is sourced from PubChem (CID 80755976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).