(2S)-2-[[4-(propylamino)oxolane-3-carbonyl]amino]propanoic acid

C11H20N2O4 — CID 66255015

IUPAC(2S)-2-[[4-(propylamino)oxolane-3-carbonyl]amino]propanoic acid
SMILESCCCNC1COCC1C(=O)N[C@@H](C)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-3-4-12-9-6-17-5-8(9)10(14)13-7(2)11(15)16/h7-9,12H,3-6H2,1-2H3,(H,13,14)(H,15,16)/t7-,8?,9?/m0/s1
InChIKeyIOQPICORGAFNDJ-UEJVZZJDSA-N
MW244.29 g/mol
LogP-0.41
Rot. Bonds6

About (2S)-2-[[4-(propylamino)oxolane-3-carbonyl]amino]propanoic acid

(2S)-2-[[4-(propylamino)oxolane-3-carbonyl]amino]propanoic acid (PubChem CID 66255015) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is (2S)-2-[[4-(propylamino)oxolane-3-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[[4-(propylamino)oxolane-3-carbonyl]amino]propanoic acid
PubChem CID66255015
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name(2S)-2-[[4-(propylamino)oxolane-3-carbonyl]amino]propanoic acid
SMILESCCCNC1COCC1C(=O)N[C@@H](C)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-3-4-12-9-6-17-5-8(9)10(14)13-7(2)11(15)16/h7-9,12H,3-6H2,1-2H3,(H,13,14)(H,15,16)/t7-,8?,9?/m0/s1
InChIKeyIOQPICORGAFNDJ-UEJVZZJDSA-N
XLogP-0.41
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-propan-2-yl-4-(propylamino)oxolane-3-carboxamide
CID 66254772
(2S)-3-hydroxy-2-[[4-(propylamino)oxolane-3-carbonyl]amino]propanoic acid
CID 66254627
ethyl 2-[[4-(propylamino)oxolane-3-carbonyl]amino]propanoate
CID 66257122
N-[(2R)-1-hydroxybutan-2-yl]-4-(propylamino)oxolane-3-carboxamide
CID 107221302
4-amino-4-oxo-2-[[4-(propylamino)oxolane-3-carbonyl]amino]butanoic acid
CID 66254625
(2S)-4-methoxy-4-oxo-2-[[4-(propylamino)oxolane-3-carbonyl]amino]butanoic acid
CID 66255034
N-[1-(diethylamino)propan-2-yl]-4-(propylamino)oxolane-3-carboxamide
CID 66255598
2-methyl-1-[4-(propylamino)oxolan-3-yl]propan-1-one
CID 116587663
N-[(1R)-1-(4-chlorophenyl)ethyl]-4-(propylamino)oxolane-3-carboxamide
CID 81357106
2-[methyl-[4-(propylamino)oxolane-3-carbonyl]amino]propanoic acid
CID 66255984
3-[[[4-(propylamino)oxolane-3-carbonyl]amino]methyl]pentanoic acid
CID 81073307
2-methyl-1-[4-(propylamino)oxolan-3-yl]butan-1-one
CID 116587700

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[4-(propylamino)oxolane-3-carbonyl]amino]propanoic acid?
The IUPAC name of (2S)-2-[[4-(propylamino)oxolane-3-carbonyl]amino]propanoic acid (CID 66255015) is (2S)-2-[[4-(propylamino)oxolane-3-carbonyl]amino]propanoic acid.
What is the SMILES notation for (2S)-2-[[4-(propylamino)oxolane-3-carbonyl]amino]propanoic acid?
The canonical SMILES for (2S)-2-[[4-(propylamino)oxolane-3-carbonyl]amino]propanoic acid is CCCNC1COCC1C(=O)N[C@@H](C)C(=O)O.
What is the InChIKey of (2S)-2-[[4-(propylamino)oxolane-3-carbonyl]amino]propanoic acid?
The InChIKey is IOQPICORGAFNDJ-UEJVZZJDSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-3-4-12-9-6-17-5-8(9)10(14)13-7(2)11(15)16/h7-9,12H,3-6H2,1-2H3,(H,13,14)(H,15,16)/t7-,8?,9?/m0/s1.
What are the key properties of (2S)-2-[[4-(propylamino)oxolane-3-carbonyl]amino]propanoic acid?
(2S)-2-[[4-(propylamino)oxolane-3-carbonyl]amino]propanoic acid has a molecular weight of 244.29 g/mol, XLogP of -0.41, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[4-(propylamino)oxolane-3-carbonyl]amino]propanoic acid is sourced from PubChem (CID 66255015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).