2-[[2-(carbamoylamino)-3-methylbutanoyl]amino]-3-hydroxypropanoic acid

C9H17N3O5 — CID 43357852

IUPAC2-[[2-(carbamoylamino)-3-methylbutanoyl]amino]-3-hydroxypropanoic acid
SMILESCC(C)C(NC(N)=O)C(=O)NC(CO)C(=O)O
InChIInChI=1S/C9H17N3O5/c1-4(2)6(12-9(10)17)7(14)11-5(3-13)8(15)16/h4-6,13H,3H2,1-2H3,(H,11,14)(H,15,16)(H3,10,12,17)
InChIKeyUTNURPDAPIAZNT-UHFFFAOYSA-N
MW247.25 g/mol
LogP-1.76
Rot. Bonds6

About 2-[[2-(carbamoylamino)-3-methylbutanoyl]amino]-3-hydroxypropanoic acid

2-[[2-(carbamoylamino)-3-methylbutanoyl]amino]-3-hydroxypropanoic acid (PubChem CID 43357852) has the molecular formula C9H17N3O5 and a molecular weight of 247.25 g/mol. Its IUPAC name is 2-[[2-(carbamoylamino)-3-methylbutanoyl]amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name2-[[2-(carbamoylamino)-3-methylbutanoyl]amino]-3-hydroxypropanoic acid
PubChem CID43357852
Molecular FormulaC9H17N3O5
Molecular Weight247.25 g/mol
Exact Mass247.12
IUPAC Name2-[[2-(carbamoylamino)-3-methylbutanoyl]amino]-3-hydroxypropanoic acid
SMILESCC(C)C(NC(N)=O)C(=O)NC(CO)C(=O)O
InChIInChI=1S/C9H17N3O5/c1-4(2)6(12-9(10)17)7(14)11-5(3-13)8(15)16/h4-6,13H,3H2,1-2H3,(H,11,14)(H,15,16)(H3,10,12,17)
InChIKeyUTNURPDAPIAZNT-UHFFFAOYSA-N
XLogP-1.76
TPSA141.75 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 5-1.76
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Related Compounds

2-(carbamoylamino)-N-(1,3-dihydroxypropan-2-yl)-3-methylbutanamide
CID 65312871
2-[[2-[(2,4-diamino-4-oxobutanoyl)amino]-3-methylbutanoyl]amino]-3-hydroxypropanoic acid
CID 18219356
(2S)-2-[[2-(carbamoylamino)-3-methylbutanoyl]amino]-4-methylsulfanylbutanoic acid
CID 61153726
(2R)-2-[[2-(carbamoylamino)-3-methylbutanoyl]amino]-4-methylsulfanylbutanoic acid
CID 104906157
2-[[2-[(2,5-diamino-5-oxopentanoyl)amino]-3-methylbutanoyl]amino]-3-hydroxypropanoic acid
CID 18220889
2-[[2-[[4-amino-2-(2-aminopropanoylamino)-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoic acid
CID 18233769
2-(carbamoylamino)-N-[(2S)-1-hydroxybutan-2-yl]-3-methylbutanamide
CID 104981125
2-[[2-(carbamoylamino)-3-methylbutanoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 82781084
2-[[2-[[2-(2-aminopropanoylamino)-3-sulfanylpropanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoic acid
CID 18234568
2-[[2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoic acid
CID 18743894
2-[[2-[[4-amino-2-[(2,4-diamino-4-oxobutanoyl)amino]-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoic acid
CID 22653270
4-amino-2-[[2-[[2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoic acid
CID 18492533

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(carbamoylamino)-3-methylbutanoyl]amino]-3-hydroxypropanoic acid?
The IUPAC name of 2-[[2-(carbamoylamino)-3-methylbutanoyl]amino]-3-hydroxypropanoic acid (CID 43357852) is 2-[[2-(carbamoylamino)-3-methylbutanoyl]amino]-3-hydroxypropanoic acid.
What is the SMILES notation for 2-[[2-(carbamoylamino)-3-methylbutanoyl]amino]-3-hydroxypropanoic acid?
The canonical SMILES for 2-[[2-(carbamoylamino)-3-methylbutanoyl]amino]-3-hydroxypropanoic acid is CC(C)C(NC(N)=O)C(=O)NC(CO)C(=O)O.
What is the InChIKey of 2-[[2-(carbamoylamino)-3-methylbutanoyl]amino]-3-hydroxypropanoic acid?
The InChIKey is UTNURPDAPIAZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O5/c1-4(2)6(12-9(10)17)7(14)11-5(3-13)8(15)16/h4-6,13H,3H2,1-2H3,(H,11,14)(H,15,16)(H3,10,12,17).
What are the key properties of 2-[[2-(carbamoylamino)-3-methylbutanoyl]amino]-3-hydroxypropanoic acid?
2-[[2-(carbamoylamino)-3-methylbutanoyl]amino]-3-hydroxypropanoic acid has a molecular weight of 247.25 g/mol, XLogP of -1.76, 6 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(carbamoylamino)-3-methylbutanoyl]amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 43357852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).