CID 44367445

C4H7NO4 — CID 44367445

IUPAC(3S)-3-azaniumyl-4-hydroxy-4-oxobutanoate
SMILESC([C@@H](C(=O)O)[NH3+])C(=O)[O-]
InChIInChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1
InChIKeyCKLJMWTZIZZHCS-REOHCLBHSA-N
MW133.10 g/mol
LogP-2.10
Rot. Bonds2

About CID 44367445

CID 44367445 (PubChem CID 44367445) has the molecular formula C4H7NO4 and a molecular weight of 133.10 g/mol. Its IUPAC name is (3S)-3-azaniumyl-4-hydroxy-4-oxobutanoate.

Molecular Properties

Compound NameCID 44367445
PubChem CID44367445
Molecular FormulaC4H7NO4
Molecular Weight133.10 g/mol
Exact Mass133.04
IUPAC Name(3S)-3-azaniumyl-4-hydroxy-4-oxobutanoate
SMILESC([C@@H](C(=O)O)[NH3+])C(=O)[O-]
InChIInChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1
InChIKeyCKLJMWTZIZZHCS-REOHCLBHSA-N
XLogP-2.10
TPSA105.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity127

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.10
LogP ≤ 5-2.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

L-Aspartic Acid
CID 5960
D-Aspartic Acid
CID 83887
(+-)-Aspartic Acid
CID 424
Magnesium Aspartate
CID 56841975
O-Succinylhomoserine
CID 439406
L-aspartate(1-)
CID 5460294
Calcium Aspartate
CID 30465
L-Aspartic acid, potassium salt (1:2)
CID 6454950
Zinc Aspartate
CID 56841018
L-Aspartic acid, sodium salt (1:2)
CID 21806
Monosodium Aspartate
CID 23672344
L-Aspartic acid, monopotassium salt
CID 23672742

Frequently Asked Questions

What is the IUPAC name of CID 44367445?
The IUPAC name of CID 44367445 (CID 44367445) is (3S)-3-azaniumyl-4-hydroxy-4-oxobutanoate.
What is the SMILES notation for CID 44367445?
The canonical SMILES for CID 44367445 is C([C@@H](C(=O)O)[NH3+])C(=O)[O-].
What is the InChIKey of CID 44367445?
The InChIKey is CKLJMWTZIZZHCS-REOHCLBHSA-N. The full InChI is InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1.
What are the key properties of CID 44367445?
CID 44367445 has a molecular weight of 133.10 g/mol, XLogP of -2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 44367445 is sourced from PubChem (CID 44367445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).