(2S)-2-amino-N-[(2S)-1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]propan-2-yl]propanamide

C9H17N3O3 — CID 5478843

IUPAC(2S)-2-amino-N-[(2S)-1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]propan-2-yl]propanamide
SMILESC[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C=O
InChIInChI=1S/C9H17N3O3/c1-5(4-13)11-9(15)7(3)12-8(14)6(2)10/h4-7H,10H2,1-3H3,(H,11,15)(H,12,14)/t5-,6-,7-/m0/s1
InChIKeyFIOOXZOSOOFWSQ-ACZMJKKPSA-N
MW215.25 g/mol
LogP-1.46
Rot. Bonds5

About (2S)-2-amino-N-[(2S)-1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]propan-2-yl]propanamide

(2S)-2-amino-N-[(2S)-1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]propan-2-yl]propanamide (PubChem CID 5478843) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is (2S)-2-amino-N-[(2S)-1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]propan-2-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(2S)-1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]propan-2-yl]propanamide
PubChem CID5478843
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC Name(2S)-2-amino-N-[(2S)-1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]propan-2-yl]propanamide
SMILESC[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C=O
InChIInChI=1S/C9H17N3O3/c1-5(4-13)11-9(15)7(3)12-8(14)6(2)10/h4-7H,10H2,1-3H3,(H,11,15)(H,12,14)/t5-,6-,7-/m0/s1
InChIKeyFIOOXZOSOOFWSQ-ACZMJKKPSA-N
XLogP-1.46
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-1.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(2S)-1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]propan-2-yl]propanamide?
The IUPAC name of (2S)-2-amino-N-[(2S)-1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]propan-2-yl]propanamide (CID 5478843) is (2S)-2-amino-N-[(2S)-1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]propan-2-yl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[(2S)-1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]propan-2-yl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[(2S)-1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]propan-2-yl]propanamide is C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C=O.
What is the InChIKey of (2S)-2-amino-N-[(2S)-1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]propan-2-yl]propanamide?
The InChIKey is FIOOXZOSOOFWSQ-ACZMJKKPSA-N. The full InChI is InChI=1S/C9H17N3O3/c1-5(4-13)11-9(15)7(3)12-8(14)6(2)10/h4-7H,10H2,1-3H3,(H,11,15)(H,12,14)/t5-,6-,7-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(2S)-1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]propan-2-yl]propanamide?
(2S)-2-amino-N-[(2S)-1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]propan-2-yl]propanamide has a molecular weight of 215.25 g/mol, XLogP of -1.46, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(2S)-1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]propan-2-yl]propanamide is sourced from PubChem (CID 5478843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).