(2S)-2-amino-N-(1,3-dihydroxypropan-2-yl)but-3-enamide

C7H14N2O3 — CID 145090101

IUPAC(2S)-2-amino-N-(1,3-dihydroxypropan-2-yl)but-3-enamide
SMILESC=C[C@H](N)C(=O)NC(CO)CO
InChIInChI=1S/C7H14N2O3/c1-2-6(8)7(12)9-5(3-10)4-11/h2,5-6,10-11H,1,3-4,8H2,(H,9,12)/t6-/m0/s1
InChIKeyVYLFTJWSFVDGSV-LURJTMIESA-N
MW174.20 g/mol
LogP-2.03
Rot. Bonds5

About (2S)-2-amino-N-(1,3-dihydroxypropan-2-yl)but-3-enamide

(2S)-2-amino-N-(1,3-dihydroxypropan-2-yl)but-3-enamide (PubChem CID 145090101) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is (2S)-2-amino-N-(1,3-dihydroxypropan-2-yl)but-3-enamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(1,3-dihydroxypropan-2-yl)but-3-enamide
PubChem CID145090101
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC Name(2S)-2-amino-N-(1,3-dihydroxypropan-2-yl)but-3-enamide
SMILESC=C[C@H](N)C(=O)NC(CO)CO
InChIInChI=1S/C7H14N2O3/c1-2-6(8)7(12)9-5(3-10)4-11/h2,5-6,10-11H,1,3-4,8H2,(H,9,12)/t6-/m0/s1
InChIKeyVYLFTJWSFVDGSV-LURJTMIESA-N
XLogP-2.03
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-2.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-amino-4-(1,3-dihydroxypropan-2-ylamino)-4-oxobutanoic acid
CID 22791850
(2R)-2-amino-N-methylbut-3-enamide
CID 90248655
2-amino-N-(1,3-dihydroxypropan-2-yl)butanamide
CID 65314270
(2S)-2-amino-N-(1,3-dihydroxypropan-2-yl)hexanamide
CID 107145775
(2S)-2-amino-N-(1-hydroxy-4-methylpentan-2-yl)propanamide
CID 61245278
2-amino-N-(1-hydroxy-4-methylpentan-2-yl)propanamide
CID 61247041
1-hydroxybut-3-en-2-ylurea
CID 88808839
N-[(2R)-1-hydroxybutan-2-yl]-2-methylbutanamide
CID 103919845
2-amino-N-(1,3-dihydroxypropan-2-yl)acetamide
CID 65314479
3-amino-N-(1-hydroxybutan-2-yl)-2-methylpropanamide
CID 62668866
N-(1,3-dihydroxypropan-2-yl)-2-methylhexanamide
CID 154697432
2-(carbamoylamino)-N-(1,3-dihydroxypropan-2-yl)-3-methylbutanamide
CID 65312871

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(1,3-dihydroxypropan-2-yl)but-3-enamide?
The IUPAC name of (2S)-2-amino-N-(1,3-dihydroxypropan-2-yl)but-3-enamide (CID 145090101) is (2S)-2-amino-N-(1,3-dihydroxypropan-2-yl)but-3-enamide.
What is the SMILES notation for (2S)-2-amino-N-(1,3-dihydroxypropan-2-yl)but-3-enamide?
The canonical SMILES for (2S)-2-amino-N-(1,3-dihydroxypropan-2-yl)but-3-enamide is C=C[C@H](N)C(=O)NC(CO)CO.
What is the InChIKey of (2S)-2-amino-N-(1,3-dihydroxypropan-2-yl)but-3-enamide?
The InChIKey is VYLFTJWSFVDGSV-LURJTMIESA-N. The full InChI is InChI=1S/C7H14N2O3/c1-2-6(8)7(12)9-5(3-10)4-11/h2,5-6,10-11H,1,3-4,8H2,(H,9,12)/t6-/m0/s1.
What are the key properties of (2S)-2-amino-N-(1,3-dihydroxypropan-2-yl)but-3-enamide?
(2S)-2-amino-N-(1,3-dihydroxypropan-2-yl)but-3-enamide has a molecular weight of 174.20 g/mol, XLogP of -2.03, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(1,3-dihydroxypropan-2-yl)but-3-enamide is sourced from PubChem (CID 145090101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).