4-amino-4-oxo-2-[[4-(propylamino)oxolane-3-carbonyl]amino]butanoic acid

C12H21N3O5 — CID 66254625

IUPAC4-amino-4-oxo-2-[[4-(propylamino)oxolane-3-carbonyl]amino]butanoic acid
SMILESCCCNC1COCC1C(=O)NC(CC(N)=O)C(=O)O
InChIInChI=1S/C12H21N3O5/c1-2-3-14-9-6-20-5-7(9)11(17)15-8(12(18)19)4-10(13)16/h7-9,14H,2-6H2,1H3,(H2,13,16)(H,15,17)(H,18,19)
InChIKeyNHAMIKUKIIIEJK-UHFFFAOYSA-N
MW287.32 g/mol
LogP-1.55
Rot. Bonds8

About 4-amino-4-oxo-2-[[4-(propylamino)oxolane-3-carbonyl]amino]butanoic acid

4-amino-4-oxo-2-[[4-(propylamino)oxolane-3-carbonyl]amino]butanoic acid (PubChem CID 66254625) has the molecular formula C12H21N3O5 and a molecular weight of 287.32 g/mol. Its IUPAC name is 4-amino-4-oxo-2-[[4-(propylamino)oxolane-3-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Name4-amino-4-oxo-2-[[4-(propylamino)oxolane-3-carbonyl]amino]butanoic acid
PubChem CID66254625
Molecular FormulaC12H21N3O5
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name4-amino-4-oxo-2-[[4-(propylamino)oxolane-3-carbonyl]amino]butanoic acid
SMILESCCCNC1COCC1C(=O)NC(CC(N)=O)C(=O)O
InChIInChI=1S/C12H21N3O5/c1-2-3-14-9-6-20-5-7(9)11(17)15-8(12(18)19)4-10(13)16/h7-9,14H,2-6H2,1H3,(H2,13,16)(H,15,17)(H,18,19)
InChIKeyNHAMIKUKIIIEJK-UHFFFAOYSA-N
XLogP-1.55
TPSA130.75 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 5-1.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-4-methoxy-4-oxo-2-[[4-(propylamino)oxolane-3-carbonyl]amino]butanoic acid
CID 66255034
(2S)-3-hydroxy-2-[[4-(propylamino)oxolane-3-carbonyl]amino]propanoic acid
CID 66254627
4-amino-2-[[4-(methylamino)oxolane-3-carbonyl]amino]-4-oxobutanoic acid
CID 66264849
(2S)-2-[[4-(propylamino)oxolane-3-carbonyl]amino]propanoic acid
CID 66255015
N-propan-2-yl-4-(propylamino)oxolane-3-carboxamide
CID 66254772
(2R)-2-[[4-(ethylamino)oxolane-3-carbonyl]amino]butanoic acid
CID 66258745
ethyl 2-[[4-(propylamino)oxolane-3-carbonyl]amino]propanoate
CID 66257122
N-[(2R)-1-hydroxybutan-2-yl]-4-(propylamino)oxolane-3-carboxamide
CID 107221302
N-[2-(carbamoylamino)ethyl]-4-(propylamino)oxolane-3-carboxamide
CID 83110182
(2R)-2-[[4-(ethylamino)oxolane-3-carbonyl]amino]-4-hydroxybutanoic acid
CID 114005252
3-[[[4-(propylamino)oxolane-3-carbonyl]amino]methyl]pentanoic acid
CID 81073307
N-(3-amino-2-hydroxy-3-oxopropyl)-4-(propylamino)oxolane-3-carboxamide
CID 106175544

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-oxo-2-[[4-(propylamino)oxolane-3-carbonyl]amino]butanoic acid?
The IUPAC name of 4-amino-4-oxo-2-[[4-(propylamino)oxolane-3-carbonyl]amino]butanoic acid (CID 66254625) is 4-amino-4-oxo-2-[[4-(propylamino)oxolane-3-carbonyl]amino]butanoic acid.
What is the SMILES notation for 4-amino-4-oxo-2-[[4-(propylamino)oxolane-3-carbonyl]amino]butanoic acid?
The canonical SMILES for 4-amino-4-oxo-2-[[4-(propylamino)oxolane-3-carbonyl]amino]butanoic acid is CCCNC1COCC1C(=O)NC(CC(N)=O)C(=O)O.
What is the InChIKey of 4-amino-4-oxo-2-[[4-(propylamino)oxolane-3-carbonyl]amino]butanoic acid?
The InChIKey is NHAMIKUKIIIEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O5/c1-2-3-14-9-6-20-5-7(9)11(17)15-8(12(18)19)4-10(13)16/h7-9,14H,2-6H2,1H3,(H2,13,16)(H,15,17)(H,18,19).
What are the key properties of 4-amino-4-oxo-2-[[4-(propylamino)oxolane-3-carbonyl]amino]butanoic acid?
4-amino-4-oxo-2-[[4-(propylamino)oxolane-3-carbonyl]amino]butanoic acid has a molecular weight of 287.32 g/mol, XLogP of -1.55, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-oxo-2-[[4-(propylamino)oxolane-3-carbonyl]amino]butanoic acid is sourced from PubChem (CID 66254625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).