(2S)-2-amino-4-(cyclopropylsulfamoylamino)butanoic acid

C7H15N3O4S — CID 70945829

IUPAC(2S)-2-amino-4-(cyclopropylsulfamoylamino)butanoic acid
SMILESN[C@@H](CCNS(=O)(=O)NC1CC1)C(=O)O
InChIInChI=1S/C7H15N3O4S/c8-6(7(11)12)3-4-9-15(13,14)10-5-1-2-5/h5-6,9-10H,1-4,8H2,(H,11,12)/t6-/m0/s1
InChIKeyMMTYTKUYEJBIMT-LURJTMIESA-N
MW237.28 g/mol
LogP-1.63
Rot. Bonds7

About (2S)-2-amino-4-(cyclopropylsulfamoylamino)butanoic acid

(2S)-2-amino-4-(cyclopropylsulfamoylamino)butanoic acid (PubChem CID 70945829) has the molecular formula C7H15N3O4S and a molecular weight of 237.28 g/mol. Its IUPAC name is (2S)-2-amino-4-(cyclopropylsulfamoylamino)butanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-4-(cyclopropylsulfamoylamino)butanoic acid
PubChem CID70945829
Molecular FormulaC7H15N3O4S
Molecular Weight237.28 g/mol
Exact Mass237.08
IUPAC Name(2S)-2-amino-4-(cyclopropylsulfamoylamino)butanoic acid
SMILESN[C@@H](CCNS(=O)(=O)NC1CC1)C(=O)O
InChIInChI=1S/C7H15N3O4S/c8-6(7(11)12)3-4-9-15(13,14)10-5-1-2-5/h5-6,9-10H,1-4,8H2,(H,11,12)/t6-/m0/s1
InChIKeyMMTYTKUYEJBIMT-LURJTMIESA-N
XLogP-1.63
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 5-1.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-Diaminobutyric acid
CID 470
L-2,4-Diaminobutyric acid
CID 134490
2,4-Diaminobutyric acid, D-
CID 638153
(2S)-2-amino-4-(2,2,2-trifluoroethylsulfamoylamino)butanoic acid
CID 89123541
2-Amino-4-(2,2,2-trifluoroethylsulfamoylamino)butanoic acid
CID 89123542
(3S)-3-Amino-3-carboxypropan-1-aminium
CID 138398292
(2S)-2,4-diamino(411C)butanoic acid
CID 449917
2,4-diamino(411C)butanoic acid
CID 450559
(2R)-4-amino-4-oxo-2-(sulfoamino)butanoic acid
CID 11356297
(2S)-4-amino-4-oxo-2-(sulfoamino)butanoic acid
CID 11447178
(2S)-2-amino-4-(cyclopropylsulfonylamino)butanoic acid
CID 67154505
2-Amino-4-(cyclopropylsulfonylamino)butanoic acid
CID 67154506

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-(cyclopropylsulfamoylamino)butanoic acid?
The IUPAC name of (2S)-2-amino-4-(cyclopropylsulfamoylamino)butanoic acid (CID 70945829) is (2S)-2-amino-4-(cyclopropylsulfamoylamino)butanoic acid.
What is the SMILES notation for (2S)-2-amino-4-(cyclopropylsulfamoylamino)butanoic acid?
The canonical SMILES for (2S)-2-amino-4-(cyclopropylsulfamoylamino)butanoic acid is N[C@@H](CCNS(=O)(=O)NC1CC1)C(=O)O.
What is the InChIKey of (2S)-2-amino-4-(cyclopropylsulfamoylamino)butanoic acid?
The InChIKey is MMTYTKUYEJBIMT-LURJTMIESA-N. The full InChI is InChI=1S/C7H15N3O4S/c8-6(7(11)12)3-4-9-15(13,14)10-5-1-2-5/h5-6,9-10H,1-4,8H2,(H,11,12)/t6-/m0/s1.
What are the key properties of (2S)-2-amino-4-(cyclopropylsulfamoylamino)butanoic acid?
(2S)-2-amino-4-(cyclopropylsulfamoylamino)butanoic acid has a molecular weight of 237.28 g/mol, XLogP of -1.63, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-(cyclopropylsulfamoylamino)butanoic acid is sourced from PubChem (CID 70945829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).