[(2S)-1-hydroxypropan-2-yl]carbamic acid

C4H9NO3 — CID 87508114

IUPAC[(2S)-1-hydroxypropan-2-yl]carbamic acid
SMILESC[C@@H](CO)NC(=O)O
InChIInChI=1S/C4H9NO3/c1-3(2-6)5-4(7)8/h3,5-6H,2H2,1H3,(H,7,8)/t3-/m0/s1
InChIKeyCZZCIUKNDIAFKX-VKHMYHEASA-N
MW119.12 g/mol
LogP-0.37
Rot. Bonds2

About [(2S)-1-hydroxypropan-2-yl]carbamic acid

[(2S)-1-hydroxypropan-2-yl]carbamic acid (PubChem CID 87508114) has the molecular formula C4H9NO3 and a molecular weight of 119.12 g/mol. Its IUPAC name is [(2S)-1-hydroxypropan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2S)-1-hydroxypropan-2-yl]carbamic acid
PubChem CID87508114
Molecular FormulaC4H9NO3
Molecular Weight119.12 g/mol
Exact Mass119.06
IUPAC Name[(2S)-1-hydroxypropan-2-yl]carbamic acid
SMILESC[C@@H](CO)NC(=O)O
InChIInChI=1S/C4H9NO3/c1-3(2-6)5-4(7)8/h3,5-6H,2H2,1H3,(H,7,8)/t3-/m0/s1
InChIKeyCZZCIUKNDIAFKX-VKHMYHEASA-N
XLogP-0.37
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.12
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

7-(carboxyamino)octan-2-ylcarbamic acid
CID 146545695
5-hydroxypentan-2-ylcarbamic acid
CID 87586302
[(2S)-1-sulfanylpropan-2-yl]carbamic acid
CID 135369697
[(2S,4S)-5-hydroxy-4-methoxypentan-2-yl]carbamic acid
CID 118469879
1-[(2S)-1-hydroxypropan-2-yl]-3-propan-2-ylurea
CID 79023677
[(2R)-4-iodobutan-2-yl]carbamic acid
CID 141075426
4-[[(2R)-1-hydroxypropan-2-yl]amino]-4-oxobutanoic acid
CID 107214433
N'-(1-hydroxypropan-2-yl)-N-methyloxamide
CID 130666774
[(2S)-4-oxobutan-2-yl]carbamic acid
CID 91297255
2-amino-N-[(2S)-1-hydroxypropan-2-yl]acetamide
CID 93083458
2-amino-N-[(2S)-1-hydroxypropan-2-yl]propanamide
CID 107219144
2-chloro-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 55298424

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-hydroxypropan-2-yl]carbamic acid?
The IUPAC name of [(2S)-1-hydroxypropan-2-yl]carbamic acid (CID 87508114) is [(2S)-1-hydroxypropan-2-yl]carbamic acid.
What is the SMILES notation for [(2S)-1-hydroxypropan-2-yl]carbamic acid?
The canonical SMILES for [(2S)-1-hydroxypropan-2-yl]carbamic acid is C[C@@H](CO)NC(=O)O.
What is the InChIKey of [(2S)-1-hydroxypropan-2-yl]carbamic acid?
The InChIKey is CZZCIUKNDIAFKX-VKHMYHEASA-N. The full InChI is InChI=1S/C4H9NO3/c1-3(2-6)5-4(7)8/h3,5-6H,2H2,1H3,(H,7,8)/t3-/m0/s1.
What are the key properties of [(2S)-1-hydroxypropan-2-yl]carbamic acid?
[(2S)-1-hydroxypropan-2-yl]carbamic acid has a molecular weight of 119.12 g/mol, XLogP of -0.37, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-hydroxypropan-2-yl]carbamic acid is sourced from PubChem (CID 87508114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).