4-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid

C10H18N2O6 — CID 106670779

IUPAC4-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid
SMILESCC(O)(CNC(=O)N1CC(O)C(O)C1)CC(=O)O
InChIInChI=1S/C10H18N2O6/c1-10(18,2-8(15)16)5-11-9(17)12-3-6(13)7(14)4-12/h6-7,13-14,18H,2-5H2,1H3,(H,11,17)(H,15,16)
InChIKeyVDVJCEJWJZGYFJ-UHFFFAOYSA-N
MW262.26 g/mol
LogP-2.04
Rot. Bonds4

About 4-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid

4-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid (PubChem CID 106670779) has the molecular formula C10H18N2O6 and a molecular weight of 262.26 g/mol. Its IUPAC name is 4-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid.

Molecular Properties

Compound Name4-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid
PubChem CID106670779
Molecular FormulaC10H18N2O6
Molecular Weight262.26 g/mol
Exact Mass262.12
IUPAC Name4-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid
SMILESCC(O)(CNC(=O)N1CC(O)C(O)C1)CC(=O)O
InChIInChI=1S/C10H18N2O6/c1-10(18,2-8(15)16)5-11-9(17)12-3-6(13)7(14)4-12/h6-7,13-14,18H,2-5H2,1H3,(H,11,17)(H,15,16)
InChIKeyVDVJCEJWJZGYFJ-UHFFFAOYSA-N
XLogP-2.04
TPSA130.33 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 5-2.04
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,4S)-1-[ethyl(isopropyl)carbamoyl]-3,4-dihydroxy-pyrrolidine-3-carboxylic acid
CID 492448
3-Hydroxy-4-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-3-methylbutanoic acid
CID 107481921
4-[[2,2-Difluoroethyl(2-hydroxyethyl)carbamoyl]amino]-3-hydroxy-3-methylbutanoic acid
CID 113964605
2-Methylbutan-2-yl 3-hydroxy-4-(methylcarbamoylamino)butanoate
CID 134215846
4-[(3-Hydroxypyrrolidine-1-carbonyl)amino]butanoic acid
CID 62941208
3-Hydroxy-2-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]butanoic acid
CID 64599036
2-[[(3-Hydroxypyrrolidine-1-carbonyl)amino]methyl]butanoic acid
CID 65222177
4-[(1-Ethylpyrrolidin-3-yl)methylcarbamoylamino]-3-hydroxy-3-methylbutanoic acid
CID 66000815
3-Hydroxy-3-methyl-4-[(1-methylpyrrolidin-3-yl)methylcarbamoylamino]butanoic acid
CID 66000816
4-[[Ethyl(2-methoxyethyl)carbamoyl]amino]-3-hydroxy-3-methylbutanoic acid
CID 66000820
3-Hydroxy-4-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]-3-methylbutanoic acid
CID 66000827
3-Hydroxy-3-methyl-4-(oxolan-3-ylmethylcarbamoylamino)butanoic acid
CID 66000839

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid?
The IUPAC name of 4-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid (CID 106670779) is 4-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid.
What is the SMILES notation for 4-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid?
The canonical SMILES for 4-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid is CC(O)(CNC(=O)N1CC(O)C(O)C1)CC(=O)O.
What is the InChIKey of 4-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid?
The InChIKey is VDVJCEJWJZGYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O6/c1-10(18,2-8(15)16)5-11-9(17)12-3-6(13)7(14)4-12/h6-7,13-14,18H,2-5H2,1H3,(H,11,17)(H,15,16).
What are the key properties of 4-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid?
4-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid has a molecular weight of 262.26 g/mol, XLogP of -2.04, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid is sourced from PubChem (CID 106670779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).