ethyl 4-[[(2R)-1-hydroxypropan-2-yl]amino]-4-oxobutanoate

C9H17NO4 — CID 79030775

IUPACethyl 4-[[(2R)-1-hydroxypropan-2-yl]amino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)N[C@H](C)CO
InChIInChI=1S/C9H17NO4/c1-3-14-9(13)5-4-8(12)10-7(2)6-11/h7,11H,3-6H2,1-2H3,(H,10,12)/t7-/m1/s1
InChIKeyQBMTUYVDPFCBRX-SSDOTTSWSA-N
MW203.24 g/mol
LogP-0.17
Rot. Bonds6

About ethyl 4-[[(2R)-1-hydroxypropan-2-yl]amino]-4-oxobutanoate

ethyl 4-[[(2R)-1-hydroxypropan-2-yl]amino]-4-oxobutanoate (PubChem CID 79030775) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is ethyl 4-[[(2R)-1-hydroxypropan-2-yl]amino]-4-oxobutanoate.

Molecular Properties

Compound Nameethyl 4-[[(2R)-1-hydroxypropan-2-yl]amino]-4-oxobutanoate
PubChem CID79030775
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Nameethyl 4-[[(2R)-1-hydroxypropan-2-yl]amino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)N[C@H](C)CO
InChIInChI=1S/C9H17NO4/c1-3-14-9(13)5-4-8(12)10-7(2)6-11/h7,11H,3-6H2,1-2H3,(H,10,12)/t7-/m1/s1
InChIKeyQBMTUYVDPFCBRX-SSDOTTSWSA-N
XLogP-0.17
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[(4-hydroxy-3-methylbutan-2-yl)amino]-4-oxobutanoate
CID 115770889
ethyl 4-(3-methylbutan-2-ylamino)-4-oxobutanoate
CID 60712403
ethyl 4-[(1-amino-1-oxopropan-2-yl)amino]-4-oxobutanoate
CID 60698765
4-[[(2R)-1-hydroxypropan-2-yl]amino]-4-oxobutanoic acid
CID 107214433
3-amino-N-[(2R)-1-hydroxypropan-2-yl]propanamide
CID 93083457
2-[(4-ethoxy-4-oxobutanoyl)amino]-4-hydroxybutanoic acid
CID 61242771
2-[(4-ethoxy-4-oxobutanoyl)amino]-3,3-dimethylbutanoic acid
CID 43467592
N-(1-hydroxypropan-2-yl)heptanamide
CID 43418581
ethyl 3-[[3-oxo-3-(propan-2-ylamino)propyl]amino]propanoate
CID 62625377
2-amino-N-[(2S)-1-hydroxypropan-2-yl]acetamide
CID 93083458
4-O-ethyl 1-O-methyl butanedioate
CID 522068
ethyl 4-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-4-oxobutanoate
CID 81356588

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[(2R)-1-hydroxypropan-2-yl]amino]-4-oxobutanoate?
The IUPAC name of ethyl 4-[[(2R)-1-hydroxypropan-2-yl]amino]-4-oxobutanoate (CID 79030775) is ethyl 4-[[(2R)-1-hydroxypropan-2-yl]amino]-4-oxobutanoate.
What is the SMILES notation for ethyl 4-[[(2R)-1-hydroxypropan-2-yl]amino]-4-oxobutanoate?
The canonical SMILES for ethyl 4-[[(2R)-1-hydroxypropan-2-yl]amino]-4-oxobutanoate is CCOC(=O)CCC(=O)N[C@H](C)CO.
What is the InChIKey of ethyl 4-[[(2R)-1-hydroxypropan-2-yl]amino]-4-oxobutanoate?
The InChIKey is QBMTUYVDPFCBRX-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H17NO4/c1-3-14-9(13)5-4-8(12)10-7(2)6-11/h7,11H,3-6H2,1-2H3,(H,10,12)/t7-/m1/s1.
What are the key properties of ethyl 4-[[(2R)-1-hydroxypropan-2-yl]amino]-4-oxobutanoate?
ethyl 4-[[(2R)-1-hydroxypropan-2-yl]amino]-4-oxobutanoate has a molecular weight of 203.24 g/mol, XLogP of -0.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[(2R)-1-hydroxypropan-2-yl]amino]-4-oxobutanoate is sourced from PubChem (CID 79030775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).