[(1S)-4-amino-1-carboxy-4-oxobutyl]azanium

C5H11N2O3+ — CID 5460870

IUPAC[(1S)-4-amino-1-carboxy-4-oxobutyl]azanium
SMILESNC(=O)CC[C@H]([NH3+])C(=O)O
InChIInChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/p+1/t3-/m0/s1
InChIKeyZDXPYRJPNDTMRX-VKHMYHEASA-O
MW147.15 g/mol
LogP-2.05
Rot. Bonds4

About [(1S)-4-amino-1-carboxy-4-oxobutyl]azanium

[(1S)-4-amino-1-carboxy-4-oxobutyl]azanium (PubChem CID 5460870) has the molecular formula C5H11N2O3+ and a molecular weight of 147.15 g/mol. Its IUPAC name is [(1S)-4-amino-1-carboxy-4-oxobutyl]azanium.

Molecular Properties

Compound Name[(1S)-4-amino-1-carboxy-4-oxobutyl]azanium
PubChem CID5460870
Molecular FormulaC5H11N2O3+
Molecular Weight147.15 g/mol
Exact Mass147.08
IUPAC Name[(1S)-4-amino-1-carboxy-4-oxobutyl]azanium
SMILESNC(=O)CC[C@H]([NH3+])C(=O)O
InChIInChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/p+1/t3-/m0/s1
InChIKeyZDXPYRJPNDTMRX-VKHMYHEASA-O
XLogP-2.05
TPSA108.03 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.15
LogP ≤ 5-2.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1S)-4-amino-1-carboxy-4-oxobutyl]azanium?
The IUPAC name of [(1S)-4-amino-1-carboxy-4-oxobutyl]azanium (CID 5460870) is [(1S)-4-amino-1-carboxy-4-oxobutyl]azanium.
What is the SMILES notation for [(1S)-4-amino-1-carboxy-4-oxobutyl]azanium?
The canonical SMILES for [(1S)-4-amino-1-carboxy-4-oxobutyl]azanium is NC(=O)CC[C@H]([NH3+])C(=O)O.
What is the InChIKey of [(1S)-4-amino-1-carboxy-4-oxobutyl]azanium?
The InChIKey is ZDXPYRJPNDTMRX-VKHMYHEASA-O. The full InChI is InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/p+1/t3-/m0/s1.
What are the key properties of [(1S)-4-amino-1-carboxy-4-oxobutyl]azanium?
[(1S)-4-amino-1-carboxy-4-oxobutyl]azanium has a molecular weight of 147.15 g/mol, XLogP of -2.05, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-4-amino-1-carboxy-4-oxobutyl]azanium is sourced from PubChem (CID 5460870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).