4-[[(2R)-1-hydroxypropan-2-yl]amino]-4-oxobutanoic acid

C7H13NO4 — CID 107214433

IUPAC4-[[(2R)-1-hydroxypropan-2-yl]amino]-4-oxobutanoic acid
SMILESC[C@H](CO)NC(=O)CCC(=O)O
InChIInChI=1S/C7H13NO4/c1-5(4-9)8-6(10)2-3-7(11)12/h5,9H,2-4H2,1H3,(H,8,10)(H,11,12)/t5-/m1/s1
InChIKeyZANMIQCRENTCKD-RXMQYKEDSA-N
MW175.18 g/mol
LogP-0.65
Rot. Bonds5

About 4-[[(2R)-1-hydroxypropan-2-yl]amino]-4-oxobutanoic acid

4-[[(2R)-1-hydroxypropan-2-yl]amino]-4-oxobutanoic acid (PubChem CID 107214433) has the molecular formula C7H13NO4 and a molecular weight of 175.18 g/mol. Its IUPAC name is 4-[[(2R)-1-hydroxypropan-2-yl]amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[[(2R)-1-hydroxypropan-2-yl]amino]-4-oxobutanoic acid
PubChem CID107214433
Molecular FormulaC7H13NO4
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Name4-[[(2R)-1-hydroxypropan-2-yl]amino]-4-oxobutanoic acid
SMILESC[C@H](CO)NC(=O)CCC(=O)O
InChIInChI=1S/C7H13NO4/c1-5(4-9)8-6(10)2-3-7(11)12/h5,9H,2-4H2,1H3,(H,8,10)(H,11,12)/t5-/m1/s1
InChIKeyZANMIQCRENTCKD-RXMQYKEDSA-N
XLogP-0.65
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[(2R)-1-hydroxypropan-2-yl]propanamide
CID 93083457
ethyl 4-[[(2R)-1-hydroxypropan-2-yl]amino]-4-oxobutanoate
CID 79030775
4-(1,2-dihydroxypropylamino)-4-oxobutanoic acid
CID 154111252
[(2S)-1-hydroxypropan-2-yl]carbamic acid
CID 87508114
N-[(2R)-1-hydroxypropan-2-yl]-3-methylsulfonylpropanamide
CID 79030616
5-chloro-N-(1-hydroxypropan-2-yl)pentanamide
CID 61251203
N-(1-hydroxypropan-2-yl)heptanamide
CID 43418581
4-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-4-oxobutanoic acid
CID 54900854
2-chloro-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 55298424
2-amino-N-[(2S)-1-hydroxypropan-2-yl]acetamide
CID 93083458
3-(3-carboxypropanoylamino)-2-methylbutanoic acid
CID 89448737
4-[[2-(3-carboxypropanoylamino)acetyl]amino]pentanoic acid
CID 134182114

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-1-hydroxypropan-2-yl]amino]-4-oxobutanoic acid?
The IUPAC name of 4-[[(2R)-1-hydroxypropan-2-yl]amino]-4-oxobutanoic acid (CID 107214433) is 4-[[(2R)-1-hydroxypropan-2-yl]amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[[(2R)-1-hydroxypropan-2-yl]amino]-4-oxobutanoic acid?
The canonical SMILES for 4-[[(2R)-1-hydroxypropan-2-yl]amino]-4-oxobutanoic acid is C[C@H](CO)NC(=O)CCC(=O)O.
What is the InChIKey of 4-[[(2R)-1-hydroxypropan-2-yl]amino]-4-oxobutanoic acid?
The InChIKey is ZANMIQCRENTCKD-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H13NO4/c1-5(4-9)8-6(10)2-3-7(11)12/h5,9H,2-4H2,1H3,(H,8,10)(H,11,12)/t5-/m1/s1.
What are the key properties of 4-[[(2R)-1-hydroxypropan-2-yl]amino]-4-oxobutanoic acid?
4-[[(2R)-1-hydroxypropan-2-yl]amino]-4-oxobutanoic acid has a molecular weight of 175.18 g/mol, XLogP of -0.65, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-1-hydroxypropan-2-yl]amino]-4-oxobutanoic acid is sourced from PubChem (CID 107214433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).