(2R)-2-[(2R)-2-(propan-2-ylamino)propanoyl]oxypropanoate

C9H16NO4- — CID 140739892

IUPAC(2R)-2-[(2R)-2-(propan-2-ylamino)propanoyl]oxypropanoate
SMILESCC(C)N[C@H](C)C(=O)O[C@H](C)C(=O)[O-]
InChIInChI=1S/C9H17NO4/c1-5(2)10-6(3)9(13)14-7(4)8(11)12/h5-7,10H,1-4H3,(H,11,12)/p-1/t6-,7-/m1/s1
InChIKeyLYUDKAKZPNAPLJ-RNFRBKRXSA-M
MW202.23 g/mol
LogP-0.95
Rot. Bonds5

About (2R)-2-[(2R)-2-(propan-2-ylamino)propanoyl]oxypropanoate

(2R)-2-[(2R)-2-(propan-2-ylamino)propanoyl]oxypropanoate (PubChem CID 140739892) has the molecular formula C9H16NO4- and a molecular weight of 202.23 g/mol. Its IUPAC name is (2R)-2-[(2R)-2-(propan-2-ylamino)propanoyl]oxypropanoate.

Molecular Properties

Compound Name(2R)-2-[(2R)-2-(propan-2-ylamino)propanoyl]oxypropanoate
PubChem CID140739892
Molecular FormulaC9H16NO4-
Molecular Weight202.23 g/mol
Exact Mass202.11
IUPAC Name(2R)-2-[(2R)-2-(propan-2-ylamino)propanoyl]oxypropanoate
SMILESCC(C)N[C@H](C)C(=O)O[C@H](C)C(=O)[O-]
InChIInChI=1S/C9H17NO4/c1-5(2)10-6(3)9(13)14-7(4)8(11)12/h5-7,10H,1-4H3,(H,11,12)/p-1/t6-,7-/m1/s1
InChIKeyLYUDKAKZPNAPLJ-RNFRBKRXSA-M
XLogP-0.95
TPSA78.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 5-0.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-acetyloxypropanoate
CID 40784882
ethyl (2S)-2-(propan-2-ylamino)propanoate
CID 45086712
propan-2-yl (2R)-2-acetamidopropanoate
CID 165357542
4-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]pentyl 2-(propan-2-ylamino)propanoate
CID 149070082
[1-(methylamino)-1-oxopropan-2-yl] 2-acetamidopropanoate
CID 59423610
cyclohexyl 2-(propan-2-ylamino)propanoate
CID 19362177
propan-2-yl (3R)-3-hydroxy-2-(propan-2-ylamino)butanoate
CID 140961196
lithium 2-prop-2-enoyloxypropanoate
CID 157433958
dipropan-2-yl 2,3-bis(propan-2-ylamino)butanedioate
CID 101067350
(2S)-2-sulfonatooxypropanoate
CID 25200888
CID 59883595
CID 59883595
(2S)-2-acetamidopropanoate
CID 6926438

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2R)-2-(propan-2-ylamino)propanoyl]oxypropanoate?
The IUPAC name of (2R)-2-[(2R)-2-(propan-2-ylamino)propanoyl]oxypropanoate (CID 140739892) is (2R)-2-[(2R)-2-(propan-2-ylamino)propanoyl]oxypropanoate.
What is the SMILES notation for (2R)-2-[(2R)-2-(propan-2-ylamino)propanoyl]oxypropanoate?
The canonical SMILES for (2R)-2-[(2R)-2-(propan-2-ylamino)propanoyl]oxypropanoate is CC(C)N[C@H](C)C(=O)O[C@H](C)C(=O)[O-].
What is the InChIKey of (2R)-2-[(2R)-2-(propan-2-ylamino)propanoyl]oxypropanoate?
The InChIKey is LYUDKAKZPNAPLJ-RNFRBKRXSA-M. The full InChI is InChI=1S/C9H17NO4/c1-5(2)10-6(3)9(13)14-7(4)8(11)12/h5-7,10H,1-4H3,(H,11,12)/p-1/t6-,7-/m1/s1.
What are the key properties of (2R)-2-[(2R)-2-(propan-2-ylamino)propanoyl]oxypropanoate?
(2R)-2-[(2R)-2-(propan-2-ylamino)propanoyl]oxypropanoate has a molecular weight of 202.23 g/mol, XLogP of -0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2R)-2-(propan-2-ylamino)propanoyl]oxypropanoate is sourced from PubChem (CID 140739892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).